3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol

C16H24O — CID 87616717

IUPAC3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol
SMILESC=c1ccc(O)c(CCCCCCCC)c1=C
InChIInChI=1S/C16H24O/c1-4-5-6-7-8-9-10-15-14(3)13(2)11-12-16(15)17/h11-12,17H,2-10H2,1H3
InChIKeyINPZQYRBWRPFDN-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.12
Rot. Bonds7

About 3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol

3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol (PubChem CID 87616717) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol
PubChem CID87616717
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol
SMILESC=c1ccc(O)c(CCCCCCCC)c1=C
InChIInChI=1S/C16H24O/c1-4-5-6-7-8-9-10-15-14(3)13(2)11-12-16(15)17/h11-12,17H,2-10H2,1H3
InChIKeyINPZQYRBWRPFDN-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dimethylidene-2-octylcyclohexa-1,5-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

2,3-dihexylbenzene-1,4-diol
CID 69329716
2-methyl-3-octylbenzene-1,4-diol
CID 67742656
2-chloro-3-dodecylbenzene-1,4-diol
CID 54013851
2-pentylbenzene-1,3-diol
CID 15007741
3,4-diheptyl-2-hexylphenol
CID 66866250
3-ethyl-4-methyl-2-nonylphenol
CID 66865942
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
4-ethyl-3-hexyl-2-octylphenol
CID 66866506
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
2-heptyl-4-methyl-3-propylphenol
CID 66865859
2-hexyl-3-methylphenol
CID 28322

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol (CID 87616717) is 3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol is C=c1ccc(O)c(CCCCCCCC)c1=C.
What is the InChIKey of 3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol?
The InChIKey is INPZQYRBWRPFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-5-6-7-8-9-10-15-14(3)13(2)11-12-16(15)17/h11-12,17H,2-10H2,1H3.
What are the key properties of 3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol?
3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidene-2-octylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 87616717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).