2-methylidenedeca-3,9-diyn-1-ol

C11H14O — CID 54577210

IUPAC2-methylidenedeca-3,9-diyn-1-ol
SMILESC#CCCCCC#CC(=C)CO
InChIInChI=1S/C11H14O/c1-3-4-5-6-7-8-9-11(2)10-12/h1,12H,2,4-7,10H2
InChIKeyZJXWIZIMYRCZPF-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.73
Rot. Bonds4

About 2-methylidenedeca-3,9-diyn-1-ol

2-methylidenedeca-3,9-diyn-1-ol (PubChem CID 54577210) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-methylidenedeca-3,9-diyn-1-ol.

Molecular Properties

Compound Name2-methylidenedeca-3,9-diyn-1-ol
PubChem CID54577210
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-methylidenedeca-3,9-diyn-1-ol
SMILESC#CCCCCC#CC(=C)CO
InChIInChI=1S/C11H14O/c1-3-4-5-6-7-8-9-11(2)10-12/h1,12H,2,4-7,10H2
InChIKeyZJXWIZIMYRCZPF-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
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

4-methylidenepent-2-yne-1,5-diol
CID 86231989
undeca-5,10-diyn-1-ol
CID 3442451
dodec-2-yn-1-ol;undec-1-yne
CID 159187023
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
hexadec-15-yn-1-ol
CID 10922615
methyl undeca-2,10-diynoate
CID 125474899
6-methylidenenon-4-yne
CID 15584278
(2E)-2-[(2-ethylphenyl)methylidene]deca-3,9-diyn-1-ol
CID 59890889
hex-1-yne;1-iodohex-1-yne
CID 162160797
hept-1-yne;nonadeca-6,8-diyne
CID 91221383
methyl octa-2,7-diynoate
CID 11412468

Frequently Asked Questions

What is the IUPAC name of 2-methylidenedeca-3,9-diyn-1-ol?
The IUPAC name of 2-methylidenedeca-3,9-diyn-1-ol (CID 54577210) is 2-methylidenedeca-3,9-diyn-1-ol.
What is the SMILES notation for 2-methylidenedeca-3,9-diyn-1-ol?
The canonical SMILES for 2-methylidenedeca-3,9-diyn-1-ol is C#CCCCCC#CC(=C)CO.
What is the InChIKey of 2-methylidenedeca-3,9-diyn-1-ol?
The InChIKey is ZJXWIZIMYRCZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-4-5-6-7-8-9-11(2)10-12/h1,12H,2,4-7,10H2.
What are the key properties of 2-methylidenedeca-3,9-diyn-1-ol?
2-methylidenedeca-3,9-diyn-1-ol has a molecular weight of 162.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenedeca-3,9-diyn-1-ol is sourced from PubChem (CID 54577210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).