7-methyloct-7-en-5-yn-3-ol

C9H14O — CID 11658304

IUPAC7-methyloct-7-en-5-yn-3-ol
SMILESC=C(C)C#CCC(O)CC
InChIInChI=1S/C9H14O/c1-4-9(10)7-5-6-8(2)3/h9-10H,2,4,7H2,1,3H3
InChIKeyNKMIXYCYQYWHMC-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.73
Rot. Bonds2

About 7-methyloct-7-en-5-yn-3-ol

7-methyloct-7-en-5-yn-3-ol (PubChem CID 11658304) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 7-methyloct-7-en-5-yn-3-ol.

Molecular Properties

Compound Name7-methyloct-7-en-5-yn-3-ol
PubChem CID11658304
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name7-methyloct-7-en-5-yn-3-ol
SMILESC=C(C)C#CCC(O)CC
InChIInChI=1S/C9H14O/c1-4-9(10)7-5-6-8(2)3/h9-10H,2,4,7H2,1,3H3
InChIKeyNKMIXYCYQYWHMC-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-6-hepten-4-yn-3-ol
CID 145294
5-Methyl-5-hexen-3-yn-2-ol
CID 144275
6-Methyl-6-hepten-4-yn-2-ol
CID 140782
3-Octyn-1-ol, 2-methylene-
CID 10877185
(3S)-6-methylhept-6-en-4-yn-3-ol
CID 11137164
8-Methyl-8-nonen-5-yn-4-ol
CID 129754529
6-Methylhept-6-en-4-yn-1-ol
CID 12465819
7-Methyloct-7-en-5-yn-1-ol
CID 85983665
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
2,6-Dimethyl-6-hepten-4-YN-3-OL
CID 11309545

Frequently Asked Questions

What is the IUPAC name of 7-methyloct-7-en-5-yn-3-ol?
The IUPAC name of 7-methyloct-7-en-5-yn-3-ol (CID 11658304) is 7-methyloct-7-en-5-yn-3-ol.
What is the SMILES notation for 7-methyloct-7-en-5-yn-3-ol?
The canonical SMILES for 7-methyloct-7-en-5-yn-3-ol is C=C(C)C#CCC(O)CC.
What is the InChIKey of 7-methyloct-7-en-5-yn-3-ol?
The InChIKey is NKMIXYCYQYWHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-9(10)7-5-6-8(2)3/h9-10H,2,4,7H2,1,3H3.
What are the key properties of 7-methyloct-7-en-5-yn-3-ol?
7-methyloct-7-en-5-yn-3-ol has a molecular weight of 138.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloct-7-en-5-yn-3-ol is sourced from PubChem (CID 11658304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).