1,3-bis(2-methylpentyl)cyclohexane;methane

C19H40 — CID 173426658

IUPAC1,3-bis(2-methylpentyl)cyclohexane;methane
SMILESC.CCCC(C)CC1CCCC(CC(C)CCC)C1
InChIInChI=1S/C18H36.CH4/c1-5-8-15(3)12-17-10-7-11-18(14-17)13-16(4)9-6-2;/h15-18H,5-14H2,1-4H3;1H4
InChIKeyAYLNYPQFXOXEFR-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.08
Rot. Bonds8

About 1,3-bis(2-methylpentyl)cyclohexane;methane

1,3-bis(2-methylpentyl)cyclohexane;methane (PubChem CID 173426658) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 1,3-bis(2-methylpentyl)cyclohexane;methane.

Molecular Properties

Compound Name1,3-bis(2-methylpentyl)cyclohexane;methane
PubChem CID173426658
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name1,3-bis(2-methylpentyl)cyclohexane;methane
SMILESC.CCCC(C)CC1CCCC(CC(C)CCC)C1
InChIInChI=1S/C18H36.CH4/c1-5-8-15(3)12-17-10-7-11-18(14-17)13-16(4)9-6-2;/h15-18H,5-14H2,1-4H3;1H4
InChIKeyAYLNYPQFXOXEFR-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis(2-methylpentyl)cyclobutane
CID 143683640
1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane
CID 144926109
[4-(2-methylpentyl)cyclohexyl]methanol
CID 129166925
butane-1,1-diol;[3-(hydroxymethyl)cyclohexyl]methanol
CID 67345161
2-propylpentylcyclobutane
CID 123848725
2,3,6,8,11-pentamethyltetradecylcyclobutane
CID 123722303
3-(2-methylpentyl)thietane 1,1-dioxide
CID 154981410
2-propan-2-ylpentylcyclobutane
CID 161147859
2-(cyclopropylmethyl)pentylcyclobutane
CID 57282892
3-(2-methylpentyl)-1-propylpyrrolidine
CID 123729662
4-cyclohexyl-3-methyl-N-propylbutan-1-amine
CID 81019280
1,3-diethylcyclohexane;hexane;3-methylheptane
CID 164992405

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylpentyl)cyclohexane;methane?
The IUPAC name of 1,3-bis(2-methylpentyl)cyclohexane;methane (CID 173426658) is 1,3-bis(2-methylpentyl)cyclohexane;methane.
What is the SMILES notation for 1,3-bis(2-methylpentyl)cyclohexane;methane?
The canonical SMILES for 1,3-bis(2-methylpentyl)cyclohexane;methane is C.CCCC(C)CC1CCCC(CC(C)CCC)C1.
What is the InChIKey of 1,3-bis(2-methylpentyl)cyclohexane;methane?
The InChIKey is AYLNYPQFXOXEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36.CH4/c1-5-8-15(3)12-17-10-7-11-18(14-17)13-16(4)9-6-2;/h15-18H,5-14H2,1-4H3;1H4.
What are the key properties of 1,3-bis(2-methylpentyl)cyclohexane;methane?
1,3-bis(2-methylpentyl)cyclohexane;methane has a molecular weight of 268.53 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylpentyl)cyclohexane;methane is sourced from PubChem (CID 173426658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).