1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane

C23H42O — CID 70371948

IUPAC1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane
SMILESCCC/C=C/OC1CCCC(C2CCC(CCCCCC)CC2)C1
InChIInChI=1S/C23H42O/c1-3-5-7-8-11-20-14-16-21(17-15-20)22-12-10-13-23(19-22)24-18-9-6-4-2/h9,18,20-23H,3-8,10-17,19H2,1-2H3/b18-9+
InChIKeyRZBJFFGCLJISHA-GIJQJNRQSA-N
MW334.59 g/mol
LogP7.65
Rot. Bonds10

About 1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane

1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane (PubChem CID 70371948) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane
PubChem CID70371948
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Name1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane
SMILESCCC/C=C/OC1CCCC(C2CCC(CCCCCC)CC2)C1
InChIInChI=1S/C23H42O/c1-3-5-7-8-11-20-14-16-21(17-15-20)22-12-10-13-23(19-22)24-18-9-6-4-2/h9,18,20-23H,3-8,10-17,19H2,1-2H3/b18-9+
InChIKeyRZBJFFGCLJISHA-GIJQJNRQSA-N
XLogP7.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-1-enoxy]-3-(4-heptylcyclohexyl)cyclohexane
CID 70371952
1-pentyl-4-[(1R,3R)-3-propoxycyclohexyl]cyclohexane
CID 18640354
cis-(1R,3S)-1-pentoxy-3-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane
CID 18640338
[3-(4-pentylcyclohexyl)cyclohexyl] acetate
CID 23040988
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
1-chloro-3-(4-heptylcyclohexyl)cyclohexane
CID 57089080
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-heptyl-4-[4-[(2E,4E)-octa-2,4-dienoxy]cyclohexyl]cyclohexane
CID 18689101
1-pentoxy-3-(4-propylcyclohexyl)cyclohexane
CID 23040994

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane?
The IUPAC name of 1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane (CID 70371948) is 1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane?
The canonical SMILES for 1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane is CCC/C=C/OC1CCCC(C2CCC(CCCCCC)CC2)C1.
What is the InChIKey of 1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane?
The InChIKey is RZBJFFGCLJISHA-GIJQJNRQSA-N. The full InChI is InChI=1S/C23H42O/c1-3-5-7-8-11-20-14-16-21(17-15-20)22-12-10-13-23(19-22)24-18-9-6-4-2/h9,18,20-23H,3-8,10-17,19H2,1-2H3/b18-9+.
What are the key properties of 1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane?
1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane has a molecular weight of 334.59 g/mol, XLogP of 7.65, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane is sourced from PubChem (CID 70371948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).