1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane

C30H54O — CID 67946262

IUPAC1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane
SMILESCCCCCCC1CCC(C=CCOCC=CC2CCC(CCCCCC)CC2)CC1
InChIInChI=1S/C30H54O/c1-3-5-7-9-13-27-17-21-29(22-18-27)15-11-25-31-26-12-16-30-23-19-28(20-24-30)14-10-8-6-4-2/h11-12,15-16,27-30H,3-10,13-14,17-26H2,1-2H3
InChIKeyGSVHBDDFGKOCHR-UHFFFAOYSA-N
MW430.76 g/mol
LogP9.67
Rot. Bonds16

About 1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane

1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane (PubChem CID 67946262) has the molecular formula C30H54O and a molecular weight of 430.76 g/mol. Its IUPAC name is 1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane
PubChem CID67946262
Molecular FormulaC30H54O
Molecular Weight430.76 g/mol
Exact Mass430.42
IUPAC Name1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane
SMILESCCCCCCC1CCC(C=CCOCC=CC2CCC(CCCCCC)CC2)CC1
InChIInChI=1S/C30H54O/c1-3-5-7-9-13-27-17-21-29(22-18-27)15-11-25-31-26-12-16-30-23-19-28(20-24-30)14-10-8-6-4-2/h11-12,15-16,27-30H,3-10,13-14,17-26H2,1-2H3
InChIKeyGSVHBDDFGKOCHR-UHFFFAOYSA-N
XLogP9.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.76
LogP ≤ 59.67
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

1-hexyl-4-[(E)-3-(4-propylcyclohexyl)oxyprop-1-enyl]cyclohexane
CID 67864187
1-(3-methoxyprop-1-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54047469
1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
CID 19070167
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
4-[(E)-3-(4-heptylcyclohexyl)prop-2-enoxy]benzonitrile
CID 67863615
1-chloro-4-[3-(4-pentylcyclohexyl)prop-2-enoxy]benzene
CID 57271529
1-fluoro-4-[(E)-3-(4-pentylcyclohexyl)prop-2-enoxy]benzene
CID 67864376
azane;hexylcyclopropane
CID 135322230
1-heptyl-4-[4-[(E)-5,5,5-trifluoropent-1-enyl]cyclohexyl]cyclohexane
CID 139983585

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane?
The IUPAC name of 1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane (CID 67946262) is 1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane.
What is the SMILES notation for 1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane?
The canonical SMILES for 1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane is CCCCCCC1CCC(C=CCOCC=CC2CCC(CCCCCC)CC2)CC1.
What is the InChIKey of 1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane?
The InChIKey is GSVHBDDFGKOCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O/c1-3-5-7-9-13-27-17-21-29(22-18-27)15-11-25-31-26-12-16-30-23-19-28(20-24-30)14-10-8-6-4-2/h11-12,15-16,27-30H,3-10,13-14,17-26H2,1-2H3.
What are the key properties of 1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane?
1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane has a molecular weight of 430.76 g/mol, XLogP of 9.67, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane is sourced from PubChem (CID 67946262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).