5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane

C25H44 — CID 59927394

IUPAC5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane
SMILESC/C=C/CC1CCC(C2CCC(C3CC(C)C(C)C(C)C3)CC2)CC1
InChIInChI=1S/C25H44/c1-5-6-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-18(2)20(4)19(3)17-25/h5-6,18-25H,7-17H2,1-4H3/b6-5+
InChIKeyLSCVEPFKPPTVNO-AATRIKPKSA-N
MW344.63 g/mol
LogP7.88
Rot. Bonds4

About 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane

5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane (PubChem CID 59927394) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane.

Molecular Properties

Compound Name5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane
PubChem CID59927394
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Name5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane
SMILESC/C=C/CC1CCC(C2CCC(C3CC(C)C(C)C(C)C3)CC2)CC1
InChIInChI=1S/C25H44/c1-5-6-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-18(2)20(4)19(3)17-25/h5-6,18-25H,7-17H2,1-4H3/b6-5+
InChIKeyLSCVEPFKPPTVNO-AATRIKPKSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane with MolForge

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Related Compounds

1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20734074
1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20714863
1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 125478979
1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane
CID 67864622
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
1-but-2-enyl-4-(4-butoxycyclohexyl)cyclohexane
CID 57032891
1-[(Z)-but-2-enyl]-2-methylcyclopropane
CID 143324867
(2S)-1-but-2-enyl-2-methylcyclopropane
CID 59524462
4-[(E)-but-2-enyl]oxane
CID 166726041
bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);molecular hydrogen;1,2,3-trimethyl-5-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160608283
1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 173281367
4-[(E)-but-2-enyl]-1-methylpiperidine
CID 176646253

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane?
The IUPAC name of 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane (CID 59927394) is 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane.
What is the SMILES notation for 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane?
The canonical SMILES for 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane is C/C=C/CC1CCC(C2CCC(C3CC(C)C(C)C(C)C3)CC2)CC1.
What is the InChIKey of 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane?
The InChIKey is LSCVEPFKPPTVNO-AATRIKPKSA-N. The full InChI is InChI=1S/C25H44/c1-5-6-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-18(2)20(4)19(3)17-25/h5-6,18-25H,7-17H2,1-4H3/b6-5+.
What are the key properties of 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane?
5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane has a molecular weight of 344.63 g/mol, XLogP of 7.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane is sourced from PubChem (CID 59927394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).