1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane

C24H42 — CID 143637890

IUPAC1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane
SMILESC=CCC(C)CCC1CCC([C@@H]2CC[C@H](C3CCCCC3)C2)CC1
InChIInChI=1S/C24H42/c1-3-7-19(2)10-11-20-12-14-22(15-13-20)24-17-16-23(18-24)21-8-5-4-6-9-21/h3,19-24H,1,4-18H2,2H3/t19?,20?,22?,23-,24+/m0/s1
InChIKeyUPNFEYMZXHETOO-PNBYJGHHSA-N
MW330.60 g/mol
LogP7.78
Rot. Bonds7

About 1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane

1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane (PubChem CID 143637890) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane.

Molecular Properties

Compound Name1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane
PubChem CID143637890
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane
SMILESC=CCC(C)CCC1CCC([C@@H]2CC[C@H](C3CCCCC3)C2)CC1
InChIInChI=1S/C24H42/c1-3-7-19(2)10-11-20-12-14-22(15-13-20)24-17-16-23(18-24)21-8-5-4-6-9-21/h3,19-24H,1,4-18H2,2H3/t19?,20?,22?,23-,24+/m0/s1
InChIKeyUPNFEYMZXHETOO-PNBYJGHHSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane?
The IUPAC name of 1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane (CID 143637890) is 1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane.
What is the SMILES notation for 1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane?
The canonical SMILES for 1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane is C=CCC(C)CCC1CCC([C@@H]2CC[C@H](C3CCCCC3)C2)CC1.
What is the InChIKey of 1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane?
The InChIKey is UPNFEYMZXHETOO-PNBYJGHHSA-N. The full InChI is InChI=1S/C24H42/c1-3-7-19(2)10-11-20-12-14-22(15-13-20)24-17-16-23(18-24)21-8-5-4-6-9-21/h3,19-24H,1,4-18H2,2H3/t19?,20?,22?,23-,24+/m0/s1.
What are the key properties of 1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane?
1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane has a molecular weight of 330.60 g/mol, XLogP of 7.78, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-cyclohexylcyclopentyl]-4-(3-methylhex-5-enyl)cyclohexane is sourced from PubChem (CID 143637890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).