3-methyloct-6-yn-2-ol

C9H16O — CID 104810026

IUPAC3-methyloct-6-yn-2-ol
SMILESCC#CCCC(C)C(C)O
InChIInChI=1S/C9H16O/c1-4-5-6-7-8(2)9(3)10/h8-10H,6-7H2,1-3H3
InChIKeyRQLMGADCJDXCTA-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.81
Rot. Bonds3

About 3-methyloct-6-yn-2-ol

3-methyloct-6-yn-2-ol (PubChem CID 104810026) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyloct-6-yn-2-ol.

Molecular Properties

Compound Name3-methyloct-6-yn-2-ol
PubChem CID104810026
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-methyloct-6-yn-2-ol
SMILESCC#CCCC(C)C(C)O
InChIInChI=1S/C9H16O/c1-4-5-6-7-8(2)9(3)10/h8-10H,6-7H2,1-3H3
InChIKeyRQLMGADCJDXCTA-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.81
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

6,7-dimethylnon-2-yne
CID 123813434
2,3-dimethyloct-6-yn-1-amine
CID 104813748
5-hydroxy-4-methylhexanenitrile
CID 130122658
N-ethyl-3-methyloct-6-yn-2-amine
CID 104811014
1-propan-2-ylsulfanylhept-5-yn-2-ol
CID 104803843
1-(propan-2-ylamino)hept-5-yn-2-ol
CID 104813059
oct-1-en-6-yn-3-ol
CID 22756287
2-methoxynon-7-yn-4-ol
CID 104804259
2-methyldec-8-yn-4-ol
CID 104810073
1,1-diethoxyhept-5-yn-2-ol
CID 104804060
(2R)-3-methylhexan-2-ol
CID 88692749
1-(ethylamino)hept-5-yn-2-ol
CID 104813053

Frequently Asked Questions

What is the IUPAC name of 3-methyloct-6-yn-2-ol?
The IUPAC name of 3-methyloct-6-yn-2-ol (CID 104810026) is 3-methyloct-6-yn-2-ol.
What is the SMILES notation for 3-methyloct-6-yn-2-ol?
The canonical SMILES for 3-methyloct-6-yn-2-ol is CC#CCCC(C)C(C)O.
What is the InChIKey of 3-methyloct-6-yn-2-ol?
The InChIKey is RQLMGADCJDXCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-6-7-8(2)9(3)10/h8-10H,6-7H2,1-3H3.
What are the key properties of 3-methyloct-6-yn-2-ol?
3-methyloct-6-yn-2-ol has a molecular weight of 140.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloct-6-yn-2-ol is sourced from PubChem (CID 104810026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).