1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane

C20H36O — CID 19380462

IUPAC1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
SMILESCCC/C=C/C1CCC(C2CCC(OCCC)CC2)CC1
InChIInChI=1S/C20H36O/c1-3-5-6-7-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-16-4-2/h6-7,17-20H,3-5,8-16H2,1-2H3/b7-6+
InChIKeyYCJVQGRUXKACGC-VOTSOKGWSA-N
MW292.51 g/mol
LogP6.13
Rot. Bonds7

About 1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane

1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane (PubChem CID 19380462) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
PubChem CID19380462
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
SMILESCCC/C=C/C1CCC(C2CCC(OCCC)CC2)CC1
InChIInChI=1S/C20H36O/c1-3-5-6-7-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-16-4-2/h6-7,17-20H,3-5,8-16H2,1-2H3/b7-6+
InChIKeyYCJVQGRUXKACGC-VOTSOKGWSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.13
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-but-3-enoxy-4-(4-pent-1-enylcyclohexyl)cyclohexane
CID 54280459
1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
CID 19380399
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
1-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane
CID 57274061
1-prop-1-enyl-4-propoxycyclohexane
CID 54480397
1-butoxy-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414741
1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414711
1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane
CID 67570226
1-(but-1-enoxymethyl)-4-(4-pent-1-enylcyclohexyl)cyclohexane
CID 67898621
4-pent-1-enylcyclohexan-1-ol
CID 54384714
2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane?
The IUPAC name of 1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane (CID 19380462) is 1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane.
What is the SMILES notation for 1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane?
The canonical SMILES for 1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane is CCC/C=C/C1CCC(C2CCC(OCCC)CC2)CC1.
What is the InChIKey of 1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane?
The InChIKey is YCJVQGRUXKACGC-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H36O/c1-3-5-6-7-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-16-4-2/h6-7,17-20H,3-5,8-16H2,1-2H3/b7-6+.
What are the key properties of 1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane?
1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane has a molecular weight of 292.51 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane is sourced from PubChem (CID 19380462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).