5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol

C19H26O — CID 67779505

IUPAC5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol
SMILESCCCCCCC1(Cc2ccccc2)C=CC=C(O)C1
InChIInChI=1S/C19H26O/c1-2-3-4-8-13-19(14-9-12-18(20)16-19)15-17-10-6-5-7-11-17/h5-7,9-12,14,20H,2-4,8,13,15-16H2,1H3
InChIKeyVYOSVKWWSDMTTG-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.59
Rot. Bonds7

About 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol

5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol (PubChem CID 67779505) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol
PubChem CID67779505
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol
SMILESCCCCCCC1(Cc2ccccc2)C=CC=C(O)C1
InChIInChI=1S/C19H26O/c1-2-3-4-8-13-19(14-9-12-18(20)16-19)15-17-10-6-5-7-11-17/h5-7,9-12,14,20H,2-4,8,13,15-16H2,1H3
InChIKeyVYOSVKWWSDMTTG-UHFFFAOYSA-N
XLogP5.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-octylcyclohexyl)methylbenzene
CID 90738886
2-benzyl-2-hexyl-1,3-dioxole
CID 141318556
3-benzyl-3-nonylazetidine
CID 79451822
2-benzyl-2-heptyl-4-methylideneoxetane
CID 102089331
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
hexylbenzene;hydrogen peroxide
CID 90001206
dodecane;phenol
CID 157210063
hexakis(decane);ethylbenzene
CID 173398562
1,1'-biphenyl;hexadecane
CID 173308514
dodecylbenzene;phenol
CID 159734519
2-heptyl-3,4-dihydro-1H-naphthalen-2-ol
CID 65147056
octacosylbenzene
CID 14228596

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol (CID 67779505) is 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol is CCCCCCC1(Cc2ccccc2)C=CC=C(O)C1.
What is the InChIKey of 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol?
The InChIKey is VYOSVKWWSDMTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-2-3-4-8-13-19(14-9-12-18(20)16-19)15-17-10-6-5-7-11-17/h5-7,9-12,14,20H,2-4,8,13,15-16H2,1H3.
What are the key properties of 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol?
5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol has a molecular weight of 270.42 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-hexylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 67779505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).