(1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane

C18H36O — CID 146613780

IUPAC(1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane
SMILESCCCC(C)C(CCOC)[C@H]1CCCCC1CCC
InChIInChI=1S/C18H36O/c1-5-9-15(3)17(13-14-19-4)18-12-8-7-11-16(18)10-6-2/h15-18H,5-14H2,1-4H3/t15?,16?,17?,18-/m0/s1
InChIKeyCGMVUJOJPOIUMB-HLYMMOCJSA-N
MW268.48 g/mol
LogP5.68
Rot. Bonds9

About (1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane

(1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane (PubChem CID 146613780) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is (1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane.

Molecular Properties

Compound Name(1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane
PubChem CID146613780
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name(1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane
SMILESCCCC(C)C(CCOC)[C@H]1CCCCC1CCC
InChIInChI=1S/C18H36O/c1-5-9-15(3)17(13-14-19-4)18-12-8-7-11-16(18)10-6-2/h15-18H,5-14H2,1-4H3/t15?,16?,17?,18-/m0/s1
InChIKeyCGMVUJOJPOIUMB-HLYMMOCJSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methoxypropyl)-2-propylcyclohexane
CID 134612935
1-butan-2-yl-2-(2-methoxyethyl)cyclohexane
CID 175488685
1-(2-ethylcyclohexyl)-2-methylpentan-1-ol
CID 63899778
argon;1-hexan-2-yl-2-[2-(2-propylcyclohexyl)propyl]cyclohexane;methane
CID 159830790
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
2-butyl-N-(4-methoxybutan-2-yl)cyclopentan-1-amine
CID 115716518
1-(2-ethylcyclohexyl)-4-methoxy-N-propylbutan-1-amine
CID 65092174
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine
CID 146383066
(1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine
CID 134258073
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
dimethyl 2-[(1R,2R)-2-butylcyclohexyl]propanedioate
CID 15491386

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane?
The IUPAC name of (1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane (CID 146613780) is (1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane.
What is the SMILES notation for (1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane?
The canonical SMILES for (1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane is CCCC(C)C(CCOC)[C@H]1CCCCC1CCC.
What is the InChIKey of (1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane?
The InChIKey is CGMVUJOJPOIUMB-HLYMMOCJSA-N. The full InChI is InChI=1S/C18H36O/c1-5-9-15(3)17(13-14-19-4)18-12-8-7-11-16(18)10-6-2/h15-18H,5-14H2,1-4H3/t15?,16?,17?,18-/m0/s1.
What are the key properties of (1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane?
(1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane has a molecular weight of 268.48 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane is sourced from PubChem (CID 146613780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).