4-methyloct-1-yn-4-ol

C9H16O — CID 10909658

IUPAC4-methyloct-1-yn-4-ol
SMILESC#CCC(C)(O)CCCC
InChIInChI=1S/C9H16O/c1-4-6-8-9(3,10)7-5-2/h2,10H,4,6-8H2,1,3H3
InChIKeyVWNNGOBVFMFPNE-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds4

About 4-methyloct-1-yn-4-ol

4-methyloct-1-yn-4-ol (PubChem CID 10909658) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methyloct-1-yn-4-ol.

Molecular Properties

Compound Name4-methyloct-1-yn-4-ol
PubChem CID10909658
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-methyloct-1-yn-4-ol
SMILESC#CCC(C)(O)CCCC
InChIInChI=1S/C9H16O/c1-4-6-8-9(3,10)7-5-2/h2,10H,4,6-8H2,1,3H3
InChIKeyVWNNGOBVFMFPNE-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
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

1-Ethynylcyclohexanol
CID 6525
3,6-Dimethyl-1-heptyn-3-ol
CID 89182
3-Methyl-3-heptanol
CID 11710
3-Ethylheptan-3-ol
CID 88241
3-Methyl-1-octyn-3-ol
CID 90956
3-Methyldodec-1-yn-3-ol
CID 21908640
1-(Hex-1-yn-1-yl)cyclohexan-1-ol
CID 10997643
1-Octyn-3-ol, 3,6-dimethyl-
CID 174244
1-Tridecyn-3-ol, 3-methyl-
CID 44146108
3-Ethyl-1-heptyn-3-ol
CID 220863
1-Ethynylcyclododecanol
CID 2828296
3,7-Dimethyl-1-octyn-3-ol
CID 9812829

Frequently Asked Questions

What is the IUPAC name of 4-methyloct-1-yn-4-ol?
The IUPAC name of 4-methyloct-1-yn-4-ol (CID 10909658) is 4-methyloct-1-yn-4-ol.
What is the SMILES notation for 4-methyloct-1-yn-4-ol?
The canonical SMILES for 4-methyloct-1-yn-4-ol is C#CCC(C)(O)CCCC.
What is the InChIKey of 4-methyloct-1-yn-4-ol?
The InChIKey is VWNNGOBVFMFPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-8-9(3,10)7-5-2/h2,10H,4,6-8H2,1,3H3.
What are the key properties of 4-methyloct-1-yn-4-ol?
4-methyloct-1-yn-4-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloct-1-yn-4-ol is sourced from PubChem (CID 10909658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).