1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane

C22H40O — CID 19380399

IUPAC1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
SMILESCCC/C=C/C1CCC(CCC2CCC(OCCC)CC2)CC1
InChIInChI=1S/C22H40O/c1-3-5-6-7-19-8-10-20(11-9-19)12-13-21-14-16-22(17-15-21)23-18-4-2/h6-7,19-22H,3-5,8-18H2,1-2H3/b7-6+
InChIKeyWZQMGBFNSFWXQY-VOTSOKGWSA-N
MW320.56 g/mol
LogP6.91
Rot. Bonds9

About 1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane

1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane (PubChem CID 19380399) has the molecular formula C22H40O and a molecular weight of 320.56 g/mol. Its IUPAC name is 1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
PubChem CID19380399
Molecular FormulaC22H40O
Molecular Weight320.56 g/mol
Exact Mass320.31
IUPAC Name1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane
SMILESCCC/C=C/C1CCC(CCC2CCC(OCCC)CC2)CC1
InChIInChI=1S/C22H40O/c1-3-5-6-7-19-8-10-20(11-9-19)12-13-21-14-16-22(17-15-21)23-18-4-2/h6-7,19-22H,3-5,8-18H2,1-2H3/b7-6+
InChIKeyWZQMGBFNSFWXQY-VOTSOKGWSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 56.91
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-hexoxy-4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexane
CID 57274061
1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
CID 19380462
1-ethoxy-4-[2-(4-hex-1-enylcyclohexyl)ethyl]cyclohexane
CID 57154676
1-[(E)-but-1-enyl]-4-[2-(4-pentoxycyclohexyl)ethyl]cyclohexane
CID 19380357
1-but-3-enoxy-4-(4-pent-1-enylcyclohexyl)cyclohexane
CID 54280459
1-butyl-4-[6-(4-propoxycyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane
CID 54541006
1-prop-1-enyl-4-propoxycyclohexane
CID 54480397
1-hexoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19380514
1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane
CID 140650697
1-but-3-enyl-4-pent-1-enylcyclohexane
CID 123985466
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane
CID 67864187

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane (CID 19380399) is 1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane is CCC/C=C/C1CCC(CCC2CCC(OCCC)CC2)CC1.
What is the InChIKey of 1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane?
The InChIKey is WZQMGBFNSFWXQY-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H40O/c1-3-5-6-7-19-8-10-20(11-9-19)12-13-21-14-16-22(17-15-21)23-18-4-2/h6-7,19-22H,3-5,8-18H2,1-2H3/b7-6+.
What are the key properties of 1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane?
1-[(E)-pent-1-enyl]-4-[2-(4-propoxycyclohexyl)ethyl]cyclohexane has a molecular weight of 320.56 g/mol, XLogP of 6.91, 9 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-[2-(4-propoxycyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 19380399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).