(6E)-nona-6,8-dien-1-yn-3-ol

C9H12O — CID 15469634

IUPAC(6E)-nona-6,8-dien-1-yn-3-ol
SMILESC#CC(O)CC/C=C/C=C
InChIInChI=1S/C9H12O/c1-3-5-6-7-8-9(10)4-2/h2-3,5-6,9-10H,1,7-8H2/b6-5+
InChIKeyFVQWXKUANNFHBK-AATRIKPKSA-N
MW136.19 g/mol
LogP1.50
Rot. Bonds4

About (6E)-nona-6,8-dien-1-yn-3-ol

(6E)-nona-6,8-dien-1-yn-3-ol (PubChem CID 15469634) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (6E)-nona-6,8-dien-1-yn-3-ol.

Molecular Properties

Compound Name(6E)-nona-6,8-dien-1-yn-3-ol
PubChem CID15469634
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(6E)-nona-6,8-dien-1-yn-3-ol
SMILESC#CC(O)CC/C=C/C=C
InChIInChI=1S/C9H12O/c1-3-5-6-7-8-9(10)4-2/h2-3,5-6,9-10H,1,7-8H2/b6-5+
InChIKeyFVQWXKUANNFHBK-AATRIKPKSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E,6Z)-nona-4,6,8-triene-1,1-diol
CID 153499491
(6E)-2-methylnona-6,8-dien-3-ol
CID 14545535
(3R,6R)-octa-1,7-diyne-3,6-diol
CID 100939656
(7E)-deca-7,9-dien-4-ol
CID 46176590
(3S,7S)-nona-1,8-diyne-3,7-diol
CID 10534853
pent-4-yne-1,3-diol
CID 46910264
7-octa-5,7-dien-2-ylsulfanylocta-1,3-diene
CID 154245049
7,11,15-trimethylhexadeca-1,3-dien-8-ol
CID 123235755
(3R)-hex-1-yn-3-ol
CID 6999992
hept-1-en-6-yne-3,5-diol
CID 72965032
(3Z)-7,7-diethoxyhepta-1,3-diene
CID 163205336
octa-5,7-dienenitrile
CID 71403851

Frequently Asked Questions

What is the IUPAC name of (6E)-nona-6,8-dien-1-yn-3-ol?
The IUPAC name of (6E)-nona-6,8-dien-1-yn-3-ol (CID 15469634) is (6E)-nona-6,8-dien-1-yn-3-ol.
What is the SMILES notation for (6E)-nona-6,8-dien-1-yn-3-ol?
The canonical SMILES for (6E)-nona-6,8-dien-1-yn-3-ol is C#CC(O)CC/C=C/C=C.
What is the InChIKey of (6E)-nona-6,8-dien-1-yn-3-ol?
The InChIKey is FVQWXKUANNFHBK-AATRIKPKSA-N. The full InChI is InChI=1S/C9H12O/c1-3-5-6-7-8-9(10)4-2/h2-3,5-6,9-10H,1,7-8H2/b6-5+.
What are the key properties of (6E)-nona-6,8-dien-1-yn-3-ol?
(6E)-nona-6,8-dien-1-yn-3-ol has a molecular weight of 136.19 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-nona-6,8-dien-1-yn-3-ol is sourced from PubChem (CID 15469634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).