(4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol

C13H20O — CID 135030931

IUPAC(4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol
SMILESC#CC[C@@H](O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H20O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h1,8,10,13-14H,6-7,9H2,2-4H3/b12-10+/t13-/m1/s1
InChIKeyYDXDSBNMLIPUNZ-RSKUSDAESA-N
MW192.30 g/mol
LogP3.06
Rot. Bonds5

About (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol

(4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol (PubChem CID 135030931) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol.

Molecular Properties

Compound Name(4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol
PubChem CID135030931
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol
SMILESC#CC[C@@H](O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H20O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h1,8,10,13-14H,6-7,9H2,2-4H3/b12-10+/t13-/m1/s1
InChIKeyYDXDSBNMLIPUNZ-RSKUSDAESA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-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

4,8-Dimethyl-3,7-nonadien-2-ol
CID 5365818
4-Methyl-4E-hepten-3-ol
CID 5368945
4,8-Dimethylnona-3,7-dien-2-ol
CID 106874
2,3,7-Trimethylocta-2,6-dien-1-ol
CID 87400741
6,10-Dimethylundeca-1,5,9-trien-4-ol
CID 5365897
(E)-undec-4-en-1-yn-3-ol
CID 71745536
EINECS 249-293-9, AI3-20002, CID5365897, 6,10-Dimethylundeca-1,5,9-trien-4-ol, 1,5,9-Undecatrien-4-ol, 6,10-dimethyl-, 2,6,10-Undecatrien-8-ol, 2,6-dimethyl-, 28897-20-3
CID 120085
(2E,4S,6E)-3,7-dimethylocta-2,6-diene-1,4,8-triol
CID 101863423
3,7-Dimethyl-2,6-octaden-1,4-diol
CID 22323960
2,6-Dimethyl-octa-2,6-dien-1-ol
CID 5363122
4,8-Decadien-3-ol, 5,9-dimethyl-
CID 5365900
(2S,3R)-10-methylundec-9-en-4,6-diyne-2,3,8-triol
CID 53317968

Frequently Asked Questions

What is the IUPAC name of (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol?
The IUPAC name of (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol (CID 135030931) is (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol.
What is the SMILES notation for (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol?
The canonical SMILES for (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol is C#CC[C@@H](O)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol?
The InChIKey is YDXDSBNMLIPUNZ-RSKUSDAESA-N. The full InChI is InChI=1S/C13H20O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h1,8,10,13-14H,6-7,9H2,2-4H3/b12-10+/t13-/m1/s1.
What are the key properties of (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol?
(4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol has a molecular weight of 192.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E)-6,10-dimethylundeca-5,9-dien-1-yn-4-ol is sourced from PubChem (CID 135030931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).