5,5-dimethyl-2-methylidenehex-3-yn-1-ol

C9H14O — CID 10351771

IUPAC5,5-dimethyl-2-methylidenehex-3-yn-1-ol
SMILESC=C(C#CC(C)(C)C)CO
InChIInChI=1S/C9H14O/c1-8(7-10)5-6-9(2,3)4/h10H,1,7H2,2-4H3
InChIKeyVDIFUVNMIYEBQI-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds1

About 5,5-dimethyl-2-methylidenehex-3-yn-1-ol

5,5-dimethyl-2-methylidenehex-3-yn-1-ol (PubChem CID 10351771) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5,5-dimethyl-2-methylidenehex-3-yn-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-methylidenehex-3-yn-1-ol
PubChem CID10351771
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5,5-dimethyl-2-methylidenehex-3-yn-1-ol
SMILESC=C(C#CC(C)(C)C)CO
InChIInChI=1S/C9H14O/c1-8(7-10)5-6-9(2,3)4/h10H,1,7H2,2-4H3
InChIKeyVDIFUVNMIYEBQI-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylidenepent-3-yn-1-ol
CID 119097406
3-Octyn-1-ol, 2-methylene-
CID 10877185
(2Z)-3,7-dimethylocta-2,6-dien-4-yn-1-ol
CID 10898868
2-Methylidenedeca-3,9-diyn-1-ol
CID 54577210
6-Methylhept-6-en-4-yn-1-ol
CID 12465819
2-Methylidenehex-4-yn-1-ol
CID 12480969
5-Methylhex-5-en-3-yn-1-ol
CID 12546242
(Z)-3-methylhept-2-en-4-yn-1-ol
CID 10329297
(2E)-2-ethylidenepent-3-yn-1-ol
CID 11571790
4-Cyclopropyl-2-methylidenebut-3-yn-1-ol
CID 15542541
2-Ethenylidene-5-methoxypent-3-yn-1-ol
CID 15838349
4-Methylidenepent-2-yne-1,5-diol
CID 86231989

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-methylidenehex-3-yn-1-ol?
The IUPAC name of 5,5-dimethyl-2-methylidenehex-3-yn-1-ol (CID 10351771) is 5,5-dimethyl-2-methylidenehex-3-yn-1-ol.
What is the SMILES notation for 5,5-dimethyl-2-methylidenehex-3-yn-1-ol?
The canonical SMILES for 5,5-dimethyl-2-methylidenehex-3-yn-1-ol is C=C(C#CC(C)(C)C)CO.
What is the InChIKey of 5,5-dimethyl-2-methylidenehex-3-yn-1-ol?
The InChIKey is VDIFUVNMIYEBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8(7-10)5-6-9(2,3)4/h10H,1,7H2,2-4H3.
What are the key properties of 5,5-dimethyl-2-methylidenehex-3-yn-1-ol?
5,5-dimethyl-2-methylidenehex-3-yn-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-methylidenehex-3-yn-1-ol is sourced from PubChem (CID 10351771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).