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

C19H32O — CID 67864622

IUPAC1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane
SMILESC=CCOC1CCC(C2CCC(C/C=C/C)CC2)CC1
InChIInChI=1S/C19H32O/c1-3-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-15-4-2/h3-5,16-19H,2,6-15H2,1H3/b5-3+
InChIKeyPCUXYIAWGWNJLS-HWKANZROSA-N
MW276.46 g/mol
LogP5.52
Rot. Bonds6

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

1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane (PubChem CID 67864622) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane
PubChem CID67864622
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane
SMILESC=CCOC1CCC(C2CCC(C/C=C/C)CC2)CC1
InChIInChI=1S/C19H32O/c1-3-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-15-4-2/h3-5,16-19H,2,6-15H2,1H3/b5-3+
InChIKeyPCUXYIAWGWNJLS-HWKANZROSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane
CID 130414810
1-but-2-enyl-4-(4-butoxycyclohexyl)cyclohexane
CID 57032891
1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20734074
5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane
CID 59927394
1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18724330
1-[(2E,4E)-hexa-2,4-dienyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20714863
1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 56624136
1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 125478979
1-but-3-enyl-4-[2-[4-[(Z)-pent-3-enoxy]cyclohexyl]ethyl]cyclohexane
CID 67864631
1-(2,2-difluoroethenyl)-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]cyclohexane
CID 130414821
4-prop-2-enoxycyclohexan-1-ol
CID 23031036
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane (CID 67864622) is 1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane is C=CCOC1CCC(C2CCC(C/C=C/C)CC2)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane?
The InChIKey is PCUXYIAWGWNJLS-HWKANZROSA-N. The full InChI is InChI=1S/C19H32O/c1-3-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-15-4-2/h3-5,16-19H,2,6-15H2,1H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane?
1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane has a molecular weight of 276.46 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane is sourced from PubChem (CID 67864622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).