7-methylocta-5,6-dien-1-yn-4-ol

C9H12O — CID 134884706

IUPAC7-methylocta-5,6-dien-1-yn-4-ol
SMILESC#CCC(O)C=C=C(C)C
InChIInChI=1S/C9H12O/c1-4-5-9(10)7-6-8(2)3/h1,7,9-10H,5H2,2-3H3
InChIKeyJGEMTHBJBJAZSH-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.49
Rot. Bonds2

About 7-methylocta-5,6-dien-1-yn-4-ol

7-methylocta-5,6-dien-1-yn-4-ol (PubChem CID 134884706) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 7-methylocta-5,6-dien-1-yn-4-ol.

Molecular Properties

Compound Name7-methylocta-5,6-dien-1-yn-4-ol
PubChem CID134884706
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name7-methylocta-5,6-dien-1-yn-4-ol
SMILESC#CCC(O)C=C=C(C)C
InChIInChI=1S/C9H12O/c1-4-5-9(10)7-6-8(2)3/h1,7,9-10H,5H2,2-3H3
InChIKeyJGEMTHBJBJAZSH-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.49
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-Methylhept-1-en-6-yn-3-ol
CID 13095279
6-Methylhept-5-en-1-yn-4-ol
CID 15892923
2-Methyloct-1-en-6-yn-3-ol
CID 12653929
4-Methylocta-4-ene-1,7-diyne-3-ol
CID 54236197
Hepta-1,2-dien-6-yn-4-ol
CID 139260508
(E)-4-methylhept-4-en-1-yn-3-ol
CID 12000169
(E,3S)-4-methylhept-4-en-1-yn-3-ol
CID 12907798
(E,3R)-4-methylhept-4-en-1-yn-3-ol
CID 12907799
1-Ethynyl-2-methyl-2-pentenyl alcohol
CID 53730069
(3R)-4-methylhept-4-en-1-yn-3-ol
CID 131084385
(Z)-5-methylhept-4-en-6-yn-3-ol
CID 11029834
3,7-Dimethylocta-5,6-dien-1-yn-4-ol
CID 134897926

Frequently Asked Questions

What is the IUPAC name of 7-methylocta-5,6-dien-1-yn-4-ol?
The IUPAC name of 7-methylocta-5,6-dien-1-yn-4-ol (CID 134884706) is 7-methylocta-5,6-dien-1-yn-4-ol.
What is the SMILES notation for 7-methylocta-5,6-dien-1-yn-4-ol?
The canonical SMILES for 7-methylocta-5,6-dien-1-yn-4-ol is C#CCC(O)C=C=C(C)C.
What is the InChIKey of 7-methylocta-5,6-dien-1-yn-4-ol?
The InChIKey is JGEMTHBJBJAZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-4-5-9(10)7-6-8(2)3/h1,7,9-10H,5H2,2-3H3.
What are the key properties of 7-methylocta-5,6-dien-1-yn-4-ol?
7-methylocta-5,6-dien-1-yn-4-ol has a molecular weight of 136.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylocta-5,6-dien-1-yn-4-ol is sourced from PubChem (CID 134884706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).