ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane

C25H46 — CID 145235002

IUPACethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane
SMILESC=CC(=C)CCC1CCC(C2CCC(CCCCC)CC2)CC1.CC
InChIInChI=1S/C23H40.C2H6/c1-4-6-7-8-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-9-19(3)5-2;1-2/h5,20-23H,2-4,6-18H2,1H3;1-2H3
InChIKeyBJHJSNBAWLNEEB-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.73
Rot. Bonds9

About ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane

ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane (PubChem CID 145235002) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane.

Molecular Properties

Compound Nameethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane
PubChem CID145235002
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Nameethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane
SMILESC=CC(=C)CCC1CCC(C2CCC(CCCCC)CC2)CC1.CC
InChIInChI=1S/C23H40.C2H6/c1-4-6-7-8-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-9-19(3)5-2;1-2/h5,20-23H,2-4,6-18H2,1H3;1-2H3
InChIKeyBJHJSNBAWLNEEB-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
CID 164590716
N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide
CID 134244992
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
hexane;pentylcyclopropane
CID 159592467
N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
CID 134244880
1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 125478979
4-(4-pentylcyclohexyl)cyclohexan-1-amine
CID 86168777
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane?
The IUPAC name of ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane (CID 145235002) is ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane.
What is the SMILES notation for ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane?
The canonical SMILES for ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane is C=CC(=C)CCC1CCC(C2CCC(CCCCC)CC2)CC1.CC.
What is the InChIKey of ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane?
The InChIKey is BJHJSNBAWLNEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40.C2H6/c1-4-6-7-8-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-9-19(3)5-2;1-2/h5,20-23H,2-4,6-18H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane?
ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane has a molecular weight of 346.64 g/mol, XLogP of 8.73, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane is sourced from PubChem (CID 145235002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).