1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane

C105H184O7 — CID 161151069

IUPAC1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane
SMILESCC(C)C(C)OC12CC3CC(CC(C3)C1)C2.CC(C)C(C)OC1C2CC3CC(C2)CC1C3.CC(C)C(C)OC1CC2CC1C1CCCC21.CC(C)C(C)OC1CCCC(C2CCCCC2)C1.CC(C)C(C)OCC1C2CC3CC(C2)CC1C3.CC(C)OC1CC2CC1C1CCCC21.CC(C)OCC12CCC3CC(CC1C3)C2
InChIInChI=1S/C17H32O.C16H28O.3C15H26O.C14H24O.C13H22O/c1-13(2)14(3)18-17-11-7-10-16(12-17)15-8-5-4-6-9-15;1-10(2)11(3)17-9-16-14-5-12-4-13(7-14)8-15(16)6-12;1-10(2)11(3)16-15-7-12-4-13(8-15)6-14(5-12)9-15;1-9(2)10(3)16-15-13-5-11-4-12(7-13)8-14(15)6-11;1-9(2)10(3)16-15-8-11-7-14(15)13-6-4-5-12(11)13;1-10(2)15-9-14-4-3-11-5-12(8-14)7-13(14)6-11;1-8(2)14-13-7-9-6-12(13)11-5-3-4-10(9)11/h13-17H,4-12H2,1-3H3;10-16H,4-9H2,1-3H3;10-14H,4-9H2,1-3H3;2*9-15H,4-8H2,1-3H3;10-13H,3-9H2,1-2H3;8-13H,3-7H2,1-2H3
InChIKeyUORMEVZDLFUULA-UHFFFAOYSA-N
MW1558.62 g/mol
LogP27.93
Rot. Bonds22

About 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane

1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane (PubChem CID 161151069) has the molecular formula C105H184O7 and a molecular weight of 1558.62 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane
PubChem CID161151069
Molecular FormulaC105H184O7
Molecular Weight1558.62 g/mol
Exact Mass1557.40
IUPAC Name1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane
SMILESCC(C)C(C)OC12CC3CC(CC(C3)C1)C2.CC(C)C(C)OC1C2CC3CC(C2)CC1C3.CC(C)C(C)OC1CC2CC1C1CCCC21.CC(C)C(C)OC1CCCC(C2CCCCC2)C1.CC(C)C(C)OCC1C2CC3CC(C2)CC1C3.CC(C)OC1CC2CC1C1CCCC21.CC(C)OCC12CCC3CC(CC1C3)C2
InChIInChI=1S/C17H32O.C16H28O.3C15H26O.C14H24O.C13H22O/c1-13(2)14(3)18-17-11-7-10-16(12-17)15-8-5-4-6-9-15;1-10(2)11(3)17-9-16-14-5-12-4-13(7-14)8-15(16)6-12;1-10(2)11(3)16-15-7-12-4-13(8-15)6-14(5-12)9-15;1-9(2)10(3)16-15-13-5-11-4-12(7-13)8-14(15)6-11;1-9(2)10(3)16-15-8-11-7-14(15)13-6-4-5-12(11)13;1-10(2)15-9-14-4-3-11-5-12(8-14)7-13(14)6-11;1-8(2)14-13-7-9-6-12(13)11-5-3-4-10(9)11/h13-17H,4-12H2,1-3H3;10-16H,4-9H2,1-3H3;10-14H,4-9H2,1-3H3;2*9-15H,4-8H2,1-3H3;10-13H,3-9H2,1-2H3;8-13H,3-7H2,1-2H3
InChIKeyUORMEVZDLFUULA-UHFFFAOYSA-N
XLogP27.93
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001558.62
LogP ≤ 527.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane?
The IUPAC name of 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane (CID 161151069) is 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane?
The canonical SMILES for 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane is CC(C)C(C)OC12CC3CC(CC(C3)C1)C2.CC(C)C(C)OC1C2CC3CC(C2)CC1C3.CC(C)C(C)OC1CC2CC1C1CCCC21.CC(C)C(C)OC1CCCC(C2CCCCC2)C1.CC(C)C(C)OCC1C2CC3CC(C2)CC1C3.CC(C)OC1CC2CC1C1CCCC21.CC(C)OCC12CCC3CC(CC1C3)C2.
What is the InChIKey of 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane?
The InChIKey is UORMEVZDLFUULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O.C16H28O.3C15H26O.C14H24O.C13H22O/c1-13(2)14(3)18-17-11-7-10-16(12-17)15-8-5-4-6-9-15;1-10(2)11(3)17-9-16-14-5-12-4-13(7-14)8-15(16)6-12;1-10(2)11(3)16-15-7-12-4-13(8-15)6-14(5-12)9-15;1-9(2)10(3)16-15-13-5-11-4-12(7-13)8-14(15)6-11;1-9(2)10(3)16-15-8-11-7-14(15)13-6-4-5-12(11)13;1-10(2)15-9-14-4-3-11-5-12(8-14)7-13(14)6-11;1-8(2)14-13-7-9-6-12(13)11-5-3-4-10(9)11/h13-17H,4-12H2,1-3H3;10-16H,4-9H2,1-3H3;10-14H,4-9H2,1-3H3;2*9-15H,4-8H2,1-3H3;10-13H,3-9H2,1-2H3;8-13H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane?
1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane has a molecular weight of 1558.62 g/mol, XLogP of 27.93, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 161151069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).