1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane

C17H30 — CID 20734074

IUPAC1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESC/C=C/CC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C17H30/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h3-4,14-17H,5-13H2,1-2H3/b4-3+
InChIKeyUHMPOGOJGXHGSX-ONEGZZNKSA-N
MW234.43 g/mol
LogP5.59
Rot. Bonds3

About 1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane

1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 20734074) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
PubChem CID20734074
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
SMILESC/C=C/CC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C17H30/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h3-4,14-17H,5-13H2,1-2H3/b4-3+
InChIKeyUHMPOGOJGXHGSX-ONEGZZNKSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.59
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-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20714863
5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane
CID 59927394
1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 125478979
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
1-but-2-enyl-4-(4-butoxycyclohexyl)cyclohexane
CID 57032891
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
2-[(E)-3-fluoroprop-2-enyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22983403
1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 173281367
methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane
CID 158715477
1-[4-[(1E,5E)-hepta-1,5-dienyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 59927398
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane (CID 20734074) is 1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane is C/C=C/CC1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is UHMPOGOJGXHGSX-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H30/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h3-4,14-17H,5-13H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane?
1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 234.43 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 20734074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).