(E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol

C15H26O — CID 22623411

IUPAC(E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol
SMILESC#CC(C)(O)/C=C/CC(C)CCCC(C)C
InChIInChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h1,8,12-14,16H,7,9-11H2,2-5H3/b12-8+
InChIKeyVAONJDSAYMKXOF-XYOKQWHBSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds7

About (E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol

(E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol (PubChem CID 22623411) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol
PubChem CID22623411
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol
SMILESC#CC(C)(O)/C=C/CC(C)CCCC(C)C
InChIInChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h1,8,12-14,16H,7,9-11H2,2-5H3/b12-8+
InChIKeyVAONJDSAYMKXOF-XYOKQWHBSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
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'}

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Related Compounds

2,6,10,15,19,23-hexamethyltetracos-12-ene
CID 154734430
(6R)-6,10-dimethylundec-3-en-2-ol
CID 54275646
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
2,6,10,14,19,23,27,31-octamethyldotriaconta-8,10,12,14,16,18,20,22,24-nonaene
CID 85447618
(E,3R)-3,7-dimethyloct-5-ene-1,7-diol
CID 14866289
(7R,11R)-3,7,11,15-tetramethyl-3-nitrosohexadec-1-yne
CID 118520931
1-bromo-3,7,11-trimethyldodeca-2,4-diene
CID 154093071
(1,2,3-13C3)prop-2-ynyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
CID 169439765
(3R,4R,7S,11S)-3,7,11,15-tetramethylhexadec-1-ene-3,4-diol
CID 162957304
7,11-dimethyldodeca-2,4-dienamide
CID 54142577
2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile
CID 3268041
3,7,11,15-tetramethylhexadec-1-yne
CID 90737632

Frequently Asked Questions

What is the IUPAC name of (E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol?
The IUPAC name of (E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol (CID 22623411) is (E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol.
What is the SMILES notation for (E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol?
The canonical SMILES for (E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol is C#CC(C)(O)/C=C/CC(C)CCCC(C)C.
What is the InChIKey of (E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol?
The InChIKey is VAONJDSAYMKXOF-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h1,8,12-14,16H,7,9-11H2,2-5H3/b12-8+.
What are the key properties of (E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol?
(E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7,11-trimethyldodec-4-en-1-yn-3-ol is sourced from PubChem (CID 22623411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).