1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane

C18H36O — CID 167705554

IUPAC1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CC(C)(O)C1.CC1CCC(C(C)C)CC1
InChIInChI=1S/C10H20.C8H16O/c1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-4-8(3,9)5-7/h8-10H,4-7H2,1-3H3;6-7,9H,4-5H2,1-3H3
InChIKeyZAXSXCYDVNASGJ-UHFFFAOYSA-N
MW268.48 g/mol
LogP5.27
Rot. Bonds2

About 1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane

1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane (PubChem CID 167705554) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane
PubChem CID167705554
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CC(C)(O)C1.CC1CCC(C(C)C)CC1
InChIInChI=1S/C10H20.C8H16O/c1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-4-8(3,9)5-7/h8-10H,4-7H2,1-3H3;6-7,9H,4-5H2,1-3H3
InChIKeyZAXSXCYDVNASGJ-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

p-Menthan-4-ol
CID 574674
Cyclohexanol, 1-(1-methylethyl)
CID 520744
1-Cyclohexylcyclobutanol
CID 12716184
1-(Cyclobutylmethyl)cyclohexan-1-ol
CID 115073836
1-Butyl-2-methylcyclobutan-1-ol
CID 13119590
2,3,4,5,6,7,8-Heptamethylnonan-5-ol
CID 21344764
1-(5-Methylhexyl)-4-propan-2-ylcyclohexan-1-ol
CID 22891121
5-Butyl-6-ethyldecan-5-ol
CID 53700234
1-(Butan-2-yl)cyclohexan-1-ol
CID 53755293
5-Ethyl-2-methyl-4-(2-methylpropyl)nonan-4-ol
CID 53983727
5,6-Dibutyldecan-5-ol
CID 54488769
2-Methyl-1-[4-(propan-2-yl)cyclohexyl]propan-2-ol
CID 56976280

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of 1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane (CID 167705554) is 1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane is CC(C)C1CC(C)(O)C1.CC1CCC(C(C)C)CC1.
What is the InChIKey of 1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is ZAXSXCYDVNASGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C8H16O/c1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-4-8(3,9)5-7/h8-10H,4-7H2,1-3H3;6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane?
1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 268.48 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 167705554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).