1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene

C51H88 — CID 158632163

IUPAC1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene
SMILESC1CCC(CC(CC2CCCCC2)C2CCCCC2)CC1.C=C.C=C.C=C.C=C1CCC(CC(CC2CCC(=C)CC2)C2CCC(=C)CC2)CC1
InChIInChI=1S/C24H38.C21H38.3C2H4/c1-18-4-10-21(11-5-18)16-24(23-14-8-20(3)9-15-23)17-22-12-6-19(2)7-13-22;1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;3*1-2/h21-24H,1-17H2;18-21H,1-17H2;3*1-2H2
InChIKeyHZIHADSJZHLJAU-UHFFFAOYSA-N
MW701.26 g/mol
LogP17.15
Rot. Bonds10

About 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene

1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene (PubChem CID 158632163) has the molecular formula C51H88 and a molecular weight of 701.26 g/mol. Its IUPAC name is 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene.

Molecular Properties

Compound Name1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene
PubChem CID158632163
Molecular FormulaC51H88
Molecular Weight701.26 g/mol
Exact Mass700.69
IUPAC Name1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene
SMILESC1CCC(CC(CC2CCCCC2)C2CCCCC2)CC1.C=C.C=C.C=C.C=C1CCC(CC(CC2CCC(=C)CC2)C2CCC(=C)CC2)CC1
InChIInChI=1S/C24H38.C21H38.3C2H4/c1-18-4-10-21(11-5-18)16-24(23-14-8-20(3)9-15-23)17-22-12-6-19(2)7-13-22;1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;3*1-2/h21-24H,1-17H2;18-21H,1-17H2;3*1-2H2
InChIKeyHZIHADSJZHLJAU-UHFFFAOYSA-N
XLogP17.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.26
LogP ≤ 517.15
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

(1-cyclobutyl-3-cyclopentylpropan-2-yl)cyclohexane
CID 174717926
1-ethyl-4-methylidenecycloheptane
CID 65087805
1,2-dicyclohexylethylcyclohexane
CID 158413043
1-cyclopropylbutan-2-ylcyclopentane
CID 142060963
4-(2-cyclobutyl-3-cyclohexylpropyl)pyridine
CID 57178325
(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
4-(2-cyclohexylbutyl)cyclohexan-1-ol
CID 143270572
2-cyclohexylhex-5-en-1-amine
CID 66694648
1-(4-methylidenecyclohexyl)-2-sulfonylethanol
CID 87612784
2-cyclopropylheptylcyclohexane
CID 57268487
CID 57418033
CID 57418033

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene?
The IUPAC name of 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene (CID 158632163) is 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene.
What is the SMILES notation for 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene?
The canonical SMILES for 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene is C1CCC(CC(CC2CCCCC2)C2CCCCC2)CC1.C=C.C=C.C=C.C=C1CCC(CC(CC2CCC(=C)CC2)C2CCC(=C)CC2)CC1.
What is the InChIKey of 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene?
The InChIKey is HZIHADSJZHLJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38.C21H38.3C2H4/c1-18-4-10-21(11-5-18)16-24(23-14-8-20(3)9-15-23)17-22-12-6-19(2)7-13-22;1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19;3*1-2/h21-24H,1-17H2;18-21H,1-17H2;3*1-2H2.
What are the key properties of 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene?
1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene has a molecular weight of 701.26 g/mol, XLogP of 17.15, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(4-methylidenecyclohexyl)propan-2-yl]-4-methylidenecyclohexane;1,3-dicyclohexylpropan-2-ylcyclohexane;ethene is sourced from PubChem (CID 158632163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).