2-methylideneoct-3-yn-1-ol

C9H14O — CID 10877185

IUPAC2-methylideneoct-3-yn-1-ol
SMILESC=C(C#CCCCC)CO
InChIInChI=1S/C9H14O/c1-3-4-5-6-7-9(2)8-10/h10H,2-5,8H2,1H3
InChIKeyXACCRURJDJBXFL-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.73
Rot. Bonds3

About 2-methylideneoct-3-yn-1-ol

2-methylideneoct-3-yn-1-ol (PubChem CID 10877185) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methylideneoct-3-yn-1-ol.

Molecular Properties

Compound Name2-methylideneoct-3-yn-1-ol
PubChem CID10877185
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-methylideneoct-3-yn-1-ol
SMILESC=C(C#CCCCC)CO
InChIInChI=1S/C9H14O/c1-3-4-5-6-7-9(2)8-10/h10H,2-5,8H2,1H3
InChIKeyXACCRURJDJBXFL-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.73
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-Methylidenepent-3-yn-1-ol
CID 119097406
(Z)-3-methylnon-2-en-4-yn-1-ol
CID 10749380
(2Z)-3,7-dimethylocta-2,6-dien-4-yn-1-ol
CID 10898868
2-Methylidenedeca-3,9-diyn-1-ol
CID 54577210
2-Methylideneundec-3-yn-1-ol
CID 134975743
6-Methylhept-6-en-4-yn-1-ol
CID 12465819
7-Methyloct-7-en-5-yn-1-ol
CID 85983665
7-Methyl-7-octen-5-YN-3-OL
CID 11658304
2-Methylidenehex-4-yn-1-ol
CID 12480969
5-Methylhex-5-en-3-yn-1-ol
CID 12546242
(3R)-7-methyloct-7-en-5-yn-3-ol
CID 7010448
(3S)-7-methyloct-7-en-5-yn-3-ol
CID 7567451

Frequently Asked Questions

What is the IUPAC name of 2-methylideneoct-3-yn-1-ol?
The IUPAC name of 2-methylideneoct-3-yn-1-ol (CID 10877185) is 2-methylideneoct-3-yn-1-ol.
What is the SMILES notation for 2-methylideneoct-3-yn-1-ol?
The canonical SMILES for 2-methylideneoct-3-yn-1-ol is C=C(C#CCCCC)CO.
What is the InChIKey of 2-methylideneoct-3-yn-1-ol?
The InChIKey is XACCRURJDJBXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-4-5-6-7-9(2)8-10/h10H,2-5,8H2,1H3.
What are the key properties of 2-methylideneoct-3-yn-1-ol?
2-methylideneoct-3-yn-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneoct-3-yn-1-ol is sourced from PubChem (CID 10877185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).