5-cyclohexylhex-1-en-2-ylcyclohexane

C18H32 — CID 57058746

IUPAC5-cyclohexylhex-1-en-2-ylcyclohexane
SMILESC=C(CCC(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H32/c1-15(17-9-5-3-6-10-17)13-14-16(2)18-11-7-4-8-12-18/h16-18H,1,3-14H2,2H3
InChIKeyXNMDGPGIWBDDLM-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.12
Rot. Bonds5

About 5-cyclohexylhex-1-en-2-ylcyclohexane

5-cyclohexylhex-1-en-2-ylcyclohexane (PubChem CID 57058746) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 5-cyclohexylhex-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name5-cyclohexylhex-1-en-2-ylcyclohexane
PubChem CID57058746
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name5-cyclohexylhex-1-en-2-ylcyclohexane
SMILESC=C(CCC(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H32/c1-15(17-9-5-3-6-10-17)13-14-16(2)18-11-7-4-8-12-18/h16-18H,1,3-14H2,2H3
InChIKeyXNMDGPGIWBDDLM-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-methylhexa-1,5-dien-2-ylcyclohexane
CID 123720137
methyl 4-cyclohexylpentanoate
CID 174916606
7-cyclohexyloctan-4-ol
CID 66612590
1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane
CID 123703907
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
5-methylhept-6-en-2-ylcyclohexane
CID 145312672
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
7-methyloctan-2-ylcyclohexane
CID 54518526
3-cyclopentyl-N-methylbut-3-en-1-amine
CID 117269178
[(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane
CID 89170399
5-cyclopentylhexanoic acid
CID 69016722

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylhex-1-en-2-ylcyclohexane?
The IUPAC name of 5-cyclohexylhex-1-en-2-ylcyclohexane (CID 57058746) is 5-cyclohexylhex-1-en-2-ylcyclohexane.
What is the SMILES notation for 5-cyclohexylhex-1-en-2-ylcyclohexane?
The canonical SMILES for 5-cyclohexylhex-1-en-2-ylcyclohexane is C=C(CCC(C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 5-cyclohexylhex-1-en-2-ylcyclohexane?
The InChIKey is XNMDGPGIWBDDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-15(17-9-5-3-6-10-17)13-14-16(2)18-11-7-4-8-12-18/h16-18H,1,3-14H2,2H3.
What are the key properties of 5-cyclohexylhex-1-en-2-ylcyclohexane?
5-cyclohexylhex-1-en-2-ylcyclohexane has a molecular weight of 248.45 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylhex-1-en-2-ylcyclohexane is sourced from PubChem (CID 57058746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).