[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene

C32H50 — CID 91009695

IUPAC[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene
SMILESCC=CCCC1CCC(C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C32H50/c1-3-4-6-9-26-12-16-29(17-13-26)31-20-22-32(23-21-31)30-18-14-27(15-19-30)24-25(2)28-10-7-5-8-11-28/h3-5,7-8,10-11,25-27,29-32H,6,9,12-24H2,1-2H3/t25-,26?,27?,29?,30?,31?,32?/m0/s1
InChIKeyRRSDMHAYLAGFTD-KMMNCGBLSA-N
MW434.75 g/mol
LogP9.96
Rot. Bonds8

About [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene

[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene (PubChem CID 91009695) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene.

Molecular Properties

Compound Name[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene
PubChem CID91009695
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Name[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene
SMILESCC=CCCC1CCC(C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C32H50/c1-3-4-6-9-26-12-16-29(17-13-26)31-20-22-32(23-21-31)30-18-14-27(15-19-30)24-25(2)28-10-7-5-8-11-28/h3-5,7-8,10-11,25-27,29-32H,6,9,12-24H2,1-2H3/t25-,26?,27?,29?,30?,31?,32?/m0/s1
InChIKeyRRSDMHAYLAGFTD-KMMNCGBLSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene with MolForge

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Related Compounds

Fenbutatin oxide
CID 16683004
p-Terphenyl
CID 7115
Curcumene
CID 92139
Pentadecylbenzene
CID 16476
1,4-Diisopropylbenzene
CID 7486
Cyclohexylbenzene
CID 13229
Triphenylethylene
CID 6025
Tridecylbenzene
CID 31238
Isopropylbiphenyl
CID 20259910
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Tetradecylbenzene
CID 15086
Triphenylmethane
CID 10614

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene?
The IUPAC name of [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene (CID 91009695) is [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene.
What is the SMILES notation for [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene?
The canonical SMILES for [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene is CC=CCCC1CCC(C2CCC(C3CCC(C[C@H](C)c4ccccc4)CC3)CC2)CC1.
What is the InChIKey of [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene?
The InChIKey is RRSDMHAYLAGFTD-KMMNCGBLSA-N. The full InChI is InChI=1S/C32H50/c1-3-4-6-9-26-12-16-29(17-13-26)31-20-22-32(23-21-31)30-18-14-27(15-19-30)24-25(2)28-10-7-5-8-11-28/h3-5,7-8,10-11,25-27,29-32H,6,9,12-24H2,1-2H3/t25-,26?,27?,29?,30?,31?,32?/m0/s1.
What are the key properties of [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene?
[(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene has a molecular weight of 434.75 g/mol, XLogP of 9.96, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]cyclohexyl]propan-2-yl]benzene is sourced from PubChem (CID 91009695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).