(4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one

C10H18O2 — CID 102338999

IUPAC(4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one
SMILESC=CCC(C)(C)[C@H](O)CC(C)=O
InChIInChI=1S/C10H18O2/c1-5-6-10(3,4)9(12)7-8(2)11/h5,9,12H,1,6-7H2,2-4H3/t9-/m1/s1
InChIKeyBKVZYSHDEKCSPY-SECBINFHSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds5

About (4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one

(4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one (PubChem CID 102338999) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one
PubChem CID102338999
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one
SMILESC=CCC(C)(C)[C@H](O)CC(C)=O
InChIInChI=1S/C10H18O2/c1-5-6-10(3,4)9(12)7-8(2)11/h5,9,12H,1,6-7H2,2-4H3/t9-/m1/s1
InChIKeyBKVZYSHDEKCSPY-SECBINFHSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-hydroxy-3,3-dimethylhept-6-en-2-one
CID 25105092
4-Hydroxyoct-7-en-2-one
CID 10103273
(4S)-4-hydroxyoct-7-en-2-one
CID 13693321
(6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one
CID 102050996
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
CID 102051003
1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclohexyl]ethanone
CID 102411826
(4R)-4-hydroxyoct-7-en-2-one
CID 102592058
(4R,5S)-5-ethenyl-4-hydroxy-5-methyloctan-3-one
CID 134993138
6-Hydroxy-2,5,5-trimethylhept-1-en-4-one
CID 13894157
6-Hydroxy-7,7-dimethylcyclohept-2-en-1-one
CID 21727343
(2R)-2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 93508419
(5S)-5-hydroxy-4,4-dimethyloct-7-en-3-one
CID 11159573

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one?
The IUPAC name of (4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one (CID 102338999) is (4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one.
What is the SMILES notation for (4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one?
The canonical SMILES for (4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one is C=CCC(C)(C)[C@H](O)CC(C)=O.
What is the InChIKey of (4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one?
The InChIKey is BKVZYSHDEKCSPY-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-10(3,4)9(12)7-8(2)11/h5,9,12H,1,6-7H2,2-4H3/t9-/m1/s1.
What are the key properties of (4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one?
(4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-5,5-dimethyloct-7-en-2-one is sourced from PubChem (CID 102338999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).