4-methylnon-1-en-6-yn-3-ol

C10H16O — CID 54046116

IUPAC4-methylnon-1-en-6-yn-3-ol
SMILESC=CC(O)C(C)CC#CCC
InChIInChI=1S/C10H16O/c1-4-6-7-8-9(3)10(11)5-2/h5,9-11H,2,4,8H2,1,3H3
InChIKeyCOHCUVHKVQDGEE-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds3

About 4-methylnon-1-en-6-yn-3-ol

4-methylnon-1-en-6-yn-3-ol (PubChem CID 54046116) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methylnon-1-en-6-yn-3-ol.

Molecular Properties

Compound Name4-methylnon-1-en-6-yn-3-ol
PubChem CID54046116
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-methylnon-1-en-6-yn-3-ol
SMILESC=CC(O)C(C)CC#CCC
InChIInChI=1S/C10H16O/c1-4-6-7-8-9(3)10(11)5-2/h5,9-11H,2,4,8H2,1,3H3
InChIKeyCOHCUVHKVQDGEE-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Hexen-3-ol, 4-methyl-
CID 12218386
3-Ethyl-5-hexen-2-ol
CID 57027945
(3S,4S)-2-methyl-3-prop-2-ynylhex-5-ene-2,4-diol
CID 10866739
(Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol
CID 54762919
(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol
CID 72793130
(3R,4S)-4,5-dimethylhexa-1,5-dien-3-ol
CID 122227998
(3R,4R)-3-methylundec-1-en-5-yn-4-ol
CID 134866976
(E,4R,5S)-5-ethyloct-6-en-2-yn-4-ol
CID 131240571
(3S,4S,5S)-4-methyloct-1-en-7-yne-3,5-diol
CID 10487081
(3R,4S,5R)-4-methyloct-1-en-7-yne-3,5-diol
CID 10511071
(3R,4R,5S)-4-methyloct-1-en-7-yne-3,5-diol
CID 10606981
(3S,4S,5R)-4-methyloct-1-en-7-yne-3,5-diol
CID 10606982

Frequently Asked Questions

What is the IUPAC name of 4-methylnon-1-en-6-yn-3-ol?
The IUPAC name of 4-methylnon-1-en-6-yn-3-ol (CID 54046116) is 4-methylnon-1-en-6-yn-3-ol.
What is the SMILES notation for 4-methylnon-1-en-6-yn-3-ol?
The canonical SMILES for 4-methylnon-1-en-6-yn-3-ol is C=CC(O)C(C)CC#CCC.
What is the InChIKey of 4-methylnon-1-en-6-yn-3-ol?
The InChIKey is COHCUVHKVQDGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-7-8-9(3)10(11)5-2/h5,9-11H,2,4,8H2,1,3H3.
What are the key properties of 4-methylnon-1-en-6-yn-3-ol?
4-methylnon-1-en-6-yn-3-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnon-1-en-6-yn-3-ol is sourced from PubChem (CID 54046116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).