(4R)-4-methylhept-2-yn-4-ol

C8H14O — CID 7022339

IUPAC(4R)-4-methylhept-2-yn-4-ol
SMILESCC#C[C@](C)(O)CCC
InChIInChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h9H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyZGPJPUGCDODKKH-MRVPVSSYSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds2

About (4R)-4-methylhept-2-yn-4-ol

(4R)-4-methylhept-2-yn-4-ol (PubChem CID 7022339) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (4R)-4-methylhept-2-yn-4-ol.

Molecular Properties

Compound Name(4R)-4-methylhept-2-yn-4-ol
PubChem CID7022339
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(4R)-4-methylhept-2-yn-4-ol
SMILESCC#C[C@](C)(O)CCC
InChIInChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h9H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyZGPJPUGCDODKKH-MRVPVSSYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.56
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

4-propylhept-2-yn-4-ol
CID 54327279
4-methylhept-2-yne-1,4-diol
CID 14416471
4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol
CID 160526423
2-hydroxy-2-methylpentanenitrile
CID 10898680
(10S,13S)-10,13-dimethyldocos-11-yne-10,13-diol
CID 92854568
3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)hex-4-yn-3-ol
CID 173312883
3,4-dimethylhept-1-yne-3,4-diol
CID 102249500
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
6-methyltridec-7-yn-6-ol
CID 10353086
1-propoxybut-2-yne-1,1-diol
CID 141179071
N-(2-methylpentan-2-yl)but-2-ynamide
CID 130683499
5-methylnon-1-en-3-yn-5-ol
CID 13206978

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methylhept-2-yn-4-ol?
The IUPAC name of (4R)-4-methylhept-2-yn-4-ol (CID 7022339) is (4R)-4-methylhept-2-yn-4-ol.
What is the SMILES notation for (4R)-4-methylhept-2-yn-4-ol?
The canonical SMILES for (4R)-4-methylhept-2-yn-4-ol is CC#C[C@](C)(O)CCC.
What is the InChIKey of (4R)-4-methylhept-2-yn-4-ol?
The InChIKey is ZGPJPUGCDODKKH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h9H,4,6H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-4-methylhept-2-yn-4-ol?
(4R)-4-methylhept-2-yn-4-ol has a molecular weight of 126.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methylhept-2-yn-4-ol is sourced from PubChem (CID 7022339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).