(3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol

C14H18O2 — CID 7038932

IUPAC(3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
SMILESC=C(C)[C@](C)(O)C#CC#C[C@@](C)(O)C(=C)C
InChIInChI=1S/C14H18O2/c1-11(2)13(5,15)9-7-8-10-14(6,16)12(3)4/h15-16H,1,3H2,2,4-6H3/t13-,14-/m1/s1
InChIKeyJUVSIRBVIVBQIZ-ZIAGYGMSSA-N
MW218.30 g/mol
LogP1.65
Rot. Bonds2

About (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol

(3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol (PubChem CID 7038932) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol.

Molecular Properties

Compound Name(3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
PubChem CID7038932
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
SMILESC=C(C)[C@](C)(O)C#CC#C[C@@](C)(O)C(=C)C
InChIInChI=1S/C14H18O2/c1-11(2)13(5,15)9-7-8-10-14(6,16)12(3)4/h15-16H,1,3H2,2,4-6H3/t13-,14-/m1/s1
InChIKeyJUVSIRBVIVBQIZ-ZIAGYGMSSA-N
XLogP1.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol 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-Dimethylpent-1-en-4-yn-3-ol
CID 215334
2,3-Dimethylnon-1-en-4-yn-3-ol
CID 129878749
4-Octyn-3-ol, 3-methyl-6-methylene-
CID 170304
4,6,7-Trimethylocta-4,5-dien-2-yne-1,7-diol
CID 10921119
2,3-Dimethylundec-1-en-4,6-diyne-3-ol
CID 129809444
2,3-Dimethyltridec-1-ene-4,6,8-triyne-3-ol
CID 129878728
2,3,5,8-Tetramethylnona-3,4-dien-6-yne-2,8-diol
CID 134884787
2,3,8,9-Tetramethyldeca-1,9-diene-4,6-diyne-3,8-diol
CID 3704951
2,10-Dimethyl-6-methylideneundeca-3,8-diyne-2,10-diol
CID 19748546
3,6,8-Trimethylnon-7-en-4-yne-3,6-diol
CID 251207
(3R,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
CID 7038930
(3R,8R)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol
CID 7038931

Frequently Asked Questions

What is the IUPAC name of (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol?
The IUPAC name of (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol (CID 7038932) is (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol.
What is the SMILES notation for (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol?
The canonical SMILES for (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol is C=C(C)[C@](C)(O)C#CC#C[C@@](C)(O)C(=C)C.
What is the InChIKey of (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol?
The InChIKey is JUVSIRBVIVBQIZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H18O2/c1-11(2)13(5,15)9-7-8-10-14(6,16)12(3)4/h15-16H,1,3H2,2,4-6H3/t13-,14-/m1/s1.
What are the key properties of (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol?
(3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol has a molecular weight of 218.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8S)-2,3,8,9-tetramethyldeca-1,9-dien-4,6-diyne-3,8-diol is sourced from PubChem (CID 7038932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).