3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol

C16H26O — CID 139786056

IUPAC3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol
SMILESCCC=CC(C)=CC=CC(=CCO)CCCC
InChIInChI=1S/C16H26O/c1-4-6-9-15(3)10-8-12-16(13-14-17)11-7-5-2/h6,8-10,12-13,17H,4-5,7,11,14H2,1-3H3
InChIKeyGFDZPGFCIMFBDY-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.56
Rot. Bonds8

About 3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol

3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol (PubChem CID 139786056) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol.

Molecular Properties

Compound Name3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol
PubChem CID139786056
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol
SMILESCCC=CC(C)=CC=CC(=CCO)CCCC
InChIInChI=1S/C16H26O/c1-4-6-9-15(3)10-8-12-16(13-14-17)11-7-5-2/h6,8-10,12-13,17H,4-5,7,11,14H2,1-3H3
InChIKeyGFDZPGFCIMFBDY-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-butyl-7-methylundeca-2,4,6,8-tetraen-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

Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol?
The IUPAC name of 3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol (CID 139786056) is 3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol.
What is the SMILES notation for 3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol?
The canonical SMILES for 3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol is CCC=CC(C)=CC=CC(=CCO)CCCC.
What is the InChIKey of 3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol?
The InChIKey is GFDZPGFCIMFBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-4-6-9-15(3)10-8-12-16(13-14-17)11-7-5-2/h6,8-10,12-13,17H,4-5,7,11,14H2,1-3H3.
What are the key properties of 3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol?
3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-methylundeca-2,4,6,8-tetraen-1-ol is sourced from PubChem (CID 139786056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).