1-(1-hexylcyclohexyl)-4-pentoxybenzene

C23H38O — CID 70489126

IUPAC1-(1-hexylcyclohexyl)-4-pentoxybenzene
SMILESCCCCCCC1(c2ccc(OCCCCC)cc2)CCCCC1
InChIInChI=1S/C23H38O/c1-3-5-7-9-17-23(18-10-8-11-19-23)21-13-15-22(16-14-21)24-20-12-6-4-2/h13-16H,3-12,17-20H2,1-2H3
InChIKeyGNJWBVLZTLXRDN-UHFFFAOYSA-N
MW330.56 g/mol
LogP7.43
Rot. Bonds11

About 1-(1-hexylcyclohexyl)-4-pentoxybenzene

1-(1-hexylcyclohexyl)-4-pentoxybenzene (PubChem CID 70489126) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is 1-(1-hexylcyclohexyl)-4-pentoxybenzene.

Molecular Properties

Compound Name1-(1-hexylcyclohexyl)-4-pentoxybenzene
PubChem CID70489126
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name1-(1-hexylcyclohexyl)-4-pentoxybenzene
SMILESCCCCCCC1(c2ccc(OCCCCC)cc2)CCCCC1
InChIInChI=1S/C23H38O/c1-3-5-7-9-17-23(18-10-8-11-19-23)21-13-15-22(16-14-21)24-20-12-6-4-2/h13-16H,3-12,17-20H2,1-2H3
InChIKeyGNJWBVLZTLXRDN-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[1-[4-(1-heptylcyclohexyl)butyl]cyclohexyl]benzene
CID 173363076
[4-(1-heptylcyclohexyl)phenyl] 4-ethylbenzoate
CID 57237919
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-[1-(4-heptoxyphenyl)cyclohexyl]-3-(1-pentylcyclohexyl)propanenitrile
CID 57027511
[4-(1-heptylcyclohexyl)phenyl] 4-hexylbenzoate
CID 57221787
1-[1-[4-(1-butylcyclohexyl)butyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 67878432
1,4-dipentoxybenzene
CID 18314717
1-[4-[4-(1-hexylcyclohexyl)phenyl]phenyl]ethanone
CID 70444403
(4-octoxyphenyl) 4-fluoro-2-(1-pentylcyclohexyl)pyrimidine-5-carboxylate
CID 57320578
1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene
CID 155310542
[1-(4-decoxybenzoyl)oxycyclohexyl] 4-decoxybenzoate
CID 70406834

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexylcyclohexyl)-4-pentoxybenzene?
The IUPAC name of 1-(1-hexylcyclohexyl)-4-pentoxybenzene (CID 70489126) is 1-(1-hexylcyclohexyl)-4-pentoxybenzene.
What is the SMILES notation for 1-(1-hexylcyclohexyl)-4-pentoxybenzene?
The canonical SMILES for 1-(1-hexylcyclohexyl)-4-pentoxybenzene is CCCCCCC1(c2ccc(OCCCCC)cc2)CCCCC1.
What is the InChIKey of 1-(1-hexylcyclohexyl)-4-pentoxybenzene?
The InChIKey is GNJWBVLZTLXRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O/c1-3-5-7-9-17-23(18-10-8-11-19-23)21-13-15-22(16-14-21)24-20-12-6-4-2/h13-16H,3-12,17-20H2,1-2H3.
What are the key properties of 1-(1-hexylcyclohexyl)-4-pentoxybenzene?
1-(1-hexylcyclohexyl)-4-pentoxybenzene has a molecular weight of 330.56 g/mol, XLogP of 7.43, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexylcyclohexyl)-4-pentoxybenzene is sourced from PubChem (CID 70489126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).