(Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol

C13H22O — CID 129019334

IUPAC(Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol
SMILESC#CCCC(C)(CC)/C(O)=C(\C)CC
InChIInChI=1S/C13H22O/c1-6-9-10-13(5,8-3)12(14)11(4)7-2/h1,14H,7-10H2,2-5H3/b12-11-
InChIKeyZZJBEYOUSSERQA-QXMHVHEDSA-N
MW194.32 g/mol
LogP4.06
Rot. Bonds5

About (Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol

(Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol (PubChem CID 129019334) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol.

Molecular Properties

Compound Name(Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol
PubChem CID129019334
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol
SMILESC#CCCC(C)(CC)/C(O)=C(\C)CC
InChIInChI=1S/C13H22O/c1-6-9-10-13(5,8-3)12(14)11(4)7-2/h1,14H,7-10H2,2-5H3/b12-11-
InChIKeyZZJBEYOUSSERQA-QXMHVHEDSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 130028478
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2-methylhex-5-yn-2-ol
CID 10996988
2-ethyl-2-methylhex-5-ynal
CID 131070429
3-methyloct-7-yne-3,4-diol
CID 103448564
5-ethoxy-5-methylhex-1-yne
CID 126603890
5,5-bis(hydroxymethyl)-3,7-dimethylnona-3,6-diene-4,6-diol
CID 122583490
2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol
CID 114865146
2-methyl-1-(methylamino)hex-5-yn-2-ol
CID 66038408
6,6-dimethyldec-9-yn-5-one
CID 86247441
diethyl 2-but-3-ynyl-2-ethylpropanedioate
CID 103972995
3-ethyl-3-methylpent-4-yn-1-ol
CID 174674831

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol?
The IUPAC name of (Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol (CID 129019334) is (Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol.
What is the SMILES notation for (Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol?
The canonical SMILES for (Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol is C#CCCC(C)(CC)/C(O)=C(\C)CC.
What is the InChIKey of (Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol?
The InChIKey is ZZJBEYOUSSERQA-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H22O/c1-6-9-10-13(5,8-3)12(14)11(4)7-2/h1,14H,7-10H2,2-5H3/b12-11-.
What are the key properties of (Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol?
(Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol has a molecular weight of 194.32 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethyl-3,5-dimethylnon-3-en-8-yn-4-ol is sourced from PubChem (CID 129019334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).