3,7-dimethylocta-5,6-dien-1-yn-4-ol

C10H14O — CID 134897926

IUPAC3,7-dimethylocta-5,6-dien-1-yn-4-ol
SMILESC#CC(C)C(O)C=C=C(C)C
InChIInChI=1S/C10H14O/c1-5-9(4)10(11)7-6-8(2)3/h1,7,9-11H,2-4H3
InChIKeySBLJWTQKXYHGAY-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.74
Rot. Bonds2

About 3,7-dimethylocta-5,6-dien-1-yn-4-ol

3,7-dimethylocta-5,6-dien-1-yn-4-ol (PubChem CID 134897926) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,7-dimethylocta-5,6-dien-1-yn-4-ol.

Molecular Properties

Compound Name3,7-dimethylocta-5,6-dien-1-yn-4-ol
PubChem CID134897926
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3,7-dimethylocta-5,6-dien-1-yn-4-ol
SMILESC#CC(C)C(O)C=C=C(C)C
InChIInChI=1S/C10H14O/c1-5-9(4)10(11)7-6-8(2)3/h1,7,9-11H,2-4H3
InChIKeySBLJWTQKXYHGAY-UHFFFAOYSA-N
XLogP1.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.74
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

2,6-Dimethylhepta-4,5-dien-3-ol
CID 12251372
2,6-Dimethylocta-4,5-dien-3-ol
CID 12555439
2,6,7-Trimethylocta-4,5-dien-3-ol
CID 12555442
7-Methylocta-5,6-dien-1-yn-4-ol
CID 134884706
4-Ethylnona-4,5-dien-1-yn-3-ol
CID 134981936
2-Methylhex-1-en-5-yn-3-ol
CID 13443333
5-Methyl-4-methylidenehex-1-yn-3-ol
CID 54444448
5-Methyl-4-methylidenehepta-1,6-diyn-3-ol
CID 88810245
4-Methylidenehex-5-yn-3-ol
CID 89127994
(3S,5R)-5-methylhept-1-en-6-yn-3-ol
CID 89888950
7-Methyl-3-methylideneoct-1-en-5-yn-4-ol
CID 11788383
7-Methylnona-5,6-dien-1-yn-4-ol
CID 12381822

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-5,6-dien-1-yn-4-ol?
The IUPAC name of 3,7-dimethylocta-5,6-dien-1-yn-4-ol (CID 134897926) is 3,7-dimethylocta-5,6-dien-1-yn-4-ol.
What is the SMILES notation for 3,7-dimethylocta-5,6-dien-1-yn-4-ol?
The canonical SMILES for 3,7-dimethylocta-5,6-dien-1-yn-4-ol is C#CC(C)C(O)C=C=C(C)C.
What is the InChIKey of 3,7-dimethylocta-5,6-dien-1-yn-4-ol?
The InChIKey is SBLJWTQKXYHGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-5-9(4)10(11)7-6-8(2)3/h1,7,9-11H,2-4H3.
What are the key properties of 3,7-dimethylocta-5,6-dien-1-yn-4-ol?
3,7-dimethylocta-5,6-dien-1-yn-4-ol has a molecular weight of 150.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-5,6-dien-1-yn-4-ol is sourced from PubChem (CID 134897926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).