1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane

C18H36O — CID 67658986

IUPAC1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane
SMILESCOCC(C)C1(C)CCC(CCCC(C)C)CC1C
InChIInChI=1S/C18H36O/c1-14(2)8-7-9-17-10-11-18(5,15(3)12-17)16(4)13-19-6/h14-17H,7-13H2,1-6H3
InChIKeyUXIIDYYWLNOSIP-UHFFFAOYSA-N
MW268.48 g/mol
LogP5.54
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane

1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane (PubChem CID 67658986) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane
PubChem CID67658986
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane
SMILESCOCC(C)C1(C)CCC(CCCC(C)C)CC1C
InChIInChI=1S/C18H36O/c1-14(2)8-7-9-17-10-11-18(5,15(3)12-17)16(4)13-19-6/h14-17H,7-13H2,1-6H3
InChIKeyUXIIDYYWLNOSIP-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane?
The IUPAC name of 1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane (CID 67658986) is 1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane is COCC(C)C1(C)CCC(CCCC(C)C)CC1C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane?
The InChIKey is UXIIDYYWLNOSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-14(2)8-7-9-17-10-11-18(5,15(3)12-17)16(4)13-19-6/h14-17H,7-13H2,1-6H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane?
1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane has a molecular weight of 268.48 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-1,2-dimethyl-4-(4-methylpentyl)cyclohexane is sourced from PubChem (CID 67658986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).