1-cyclohexyl-1-(3-methoxypropyl)cyclohexane

C16H30O — CID 142637156

IUPAC1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
SMILESCOCCCC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C16H30O/c1-17-14-8-13-16(11-6-3-7-12-16)15-9-4-2-5-10-15/h15H,2-14H2,1H3
InChIKeyFVVZJSNYXQGAAN-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.94
Rot. Bonds5

About 1-cyclohexyl-1-(3-methoxypropyl)cyclohexane

1-cyclohexyl-1-(3-methoxypropyl)cyclohexane (PubChem CID 142637156) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-cyclohexyl-1-(3-methoxypropyl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
PubChem CID142637156
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
SMILESCOCCCC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C16H30O/c1-17-14-8-13-16(11-6-3-7-12-16)15-9-4-2-5-10-15/h15H,2-14H2,1H3
InChIKeyFVVZJSNYXQGAAN-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-1-cycloheptylcycloheptane
CID 140610618
N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
CID 82934395
N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
CID 82932753
(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
CID 90760848
2-(1-cyclohexylcyclohexyl)ethanol
CID 174399046
3-[(1S,6S)-1-bicyclo[4.1.0]heptanyl]propyl methanesulfonate
CID 11806545
1-[2-(2,3,4,5,6,7,8,9,10,10a-decahydro-1H-benzo[8]annulen-4a-yl)ethyl]cyclopentane-1-thiol
CID 166778345
1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine
CID 79331705
[1-(chloromethyl)cyclobutyl]cycloheptane
CID 82946357
4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581
4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde
CID 174896798

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(3-methoxypropyl)cyclohexane?
The IUPAC name of 1-cyclohexyl-1-(3-methoxypropyl)cyclohexane (CID 142637156) is 1-cyclohexyl-1-(3-methoxypropyl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-1-(3-methoxypropyl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-1-(3-methoxypropyl)cyclohexane is COCCCC1(C2CCCCC2)CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(3-methoxypropyl)cyclohexane?
The InChIKey is FVVZJSNYXQGAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-17-14-8-13-16(11-6-3-7-12-16)15-9-4-2-5-10-15/h15H,2-14H2,1H3.
What are the key properties of 1-cyclohexyl-1-(3-methoxypropyl)cyclohexane?
1-cyclohexyl-1-(3-methoxypropyl)cyclohexane has a molecular weight of 238.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(3-methoxypropyl)cyclohexane is sourced from PubChem (CID 142637156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).