1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane

C21H38O — CID 67806063

IUPAC1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane
SMILESC/C=C\CCCC1CCC(CCC2CCC(OC)CC2)CC1
InChIInChI=1S/C21H38O/c1-3-4-5-6-7-18-8-10-19(11-9-18)12-13-20-14-16-21(22-2)17-15-20/h3-4,18-21H,5-17H2,1-2H3/b4-3-
InChIKeyYKEIEWSLWICLED-ARJAWSKDSA-N
MW306.53 g/mol
LogP6.52
Rot. Bonds8

About 1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane

1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane (PubChem CID 67806063) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is 1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane
PubChem CID67806063
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane
SMILESC/C=C\CCCC1CCC(CCC2CCC(OC)CC2)CC1
InChIInChI=1S/C21H38O/c1-3-4-5-6-7-18-8-10-19(11-9-18)12-13-20-14-16-21(22-2)17-15-20/h3-4,18-21H,5-17H2,1-2H3/b4-3-
InChIKeyYKEIEWSLWICLED-ARJAWSKDSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-non-7-enyl]cyclohexane
CID 142802500
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane
CID 67898278
1-hexoxy-4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]cyclohexane
CID 67806291
1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
CID 19070114
1-but-3-enyl-4-[2-[4-[(Z)-pent-3-enoxy]cyclohexyl]ethyl]cyclohexane
CID 67864631
4-hept-5-enoxybutylcyclohexane
CID 57300842
1,2,3-trifluoro-5-[4-[2-(4-hex-4-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54387673
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
4-[3-(4-methoxycyclohexyl)propyl]cyclohexane-1,1-dicarbaldehyde
CID 89253657
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-pent-3-enyl-4-propylcyclohexane
CID 72599468
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane (CID 67806063) is 1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane is C/C=C\CCCC1CCC(CCC2CCC(OC)CC2)CC1.
What is the InChIKey of 1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane?
The InChIKey is YKEIEWSLWICLED-ARJAWSKDSA-N. The full InChI is InChI=1S/C21H38O/c1-3-4-5-6-7-18-8-10-19(11-9-18)12-13-20-14-16-21(22-2)17-15-20/h3-4,18-21H,5-17H2,1-2H3/b4-3-.
What are the key properties of 1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane?
1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane has a molecular weight of 306.53 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-4-enyl]-4-[2-(4-methoxycyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 67806063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).