3-methylidenenon-4-yn-2-ol

C10H16O — CID 13247373

IUPAC3-methylidenenon-4-yn-2-ol
SMILESC=C(C#CCCCC)C(C)O
InChIInChI=1S/C10H16O/c1-4-5-6-7-8-9(2)10(3)11/h10-11H,2,4-6H2,1,3H3
InChIKeyGWPUTMKEEIAEGJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.12
Rot. Bonds3

About 3-methylidenenon-4-yn-2-ol

3-methylidenenon-4-yn-2-ol (PubChem CID 13247373) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methylidenenon-4-yn-2-ol.

Molecular Properties

Compound Name3-methylidenenon-4-yn-2-ol
PubChem CID13247373
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-methylidenenon-4-yn-2-ol
SMILESC=C(C#CCCCC)C(C)O
InChIInChI=1S/C10H16O/c1-4-5-6-7-8-9(2)10(3)11/h10-11H,2,4-6H2,1,3H3
InChIKeyGWPUTMKEEIAEGJ-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylhept-1-en-6-yn-3-ol
CID 13095279
2-Methyloct-1-en-6-yn-3-ol
CID 12653929
(Z)-5-methylundec-4-en-6-yn-3-ol
CID 10511599
3-Octyn-1-ol, 2-methylene-
CID 10877185
2,4-Bis(trimethylstannylmethyl)penta-1,4-dien-3-ol
CID 25159140
3-(Trimethylstannylmethyl)but-3-en-2-ol
CID 85604799
2,7-Dimethyloct-7-en-4-yn-3-ol
CID 129754209
8-Methyl-8-nonen-5-yn-4-ol
CID 129754529
(4R)-2-methylundec-1-en-5-yn-4-ol
CID 134866890
4-Ethylnona-4,5-dien-1-yn-3-ol
CID 134981936
(4S)-2-methylundec-1-en-6-yn-4-ol
CID 162412097
7-Methyl-7-octen-5-YN-3-OL
CID 11658304

Frequently Asked Questions

What is the IUPAC name of 3-methylidenenon-4-yn-2-ol?
The IUPAC name of 3-methylidenenon-4-yn-2-ol (CID 13247373) is 3-methylidenenon-4-yn-2-ol.
What is the SMILES notation for 3-methylidenenon-4-yn-2-ol?
The canonical SMILES for 3-methylidenenon-4-yn-2-ol is C=C(C#CCCCC)C(C)O.
What is the InChIKey of 3-methylidenenon-4-yn-2-ol?
The InChIKey is GWPUTMKEEIAEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-5-6-7-8-9(2)10(3)11/h10-11H,2,4-6H2,1,3H3.
What are the key properties of 3-methylidenenon-4-yn-2-ol?
3-methylidenenon-4-yn-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenenon-4-yn-2-ol is sourced from PubChem (CID 13247373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).