(4R)-4-propan-2-ylheptan-3-one

C10H20O — CID 95003187

IUPAC(4R)-4-propan-2-ylheptan-3-one
SMILESCCC[C@@H](C(=O)CC)C(C)C
InChIInChI=1S/C10H20O/c1-5-7-9(8(3)4)10(11)6-2/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyRQWPTYGPCUDNTE-SECBINFHSA-N
MW156.27 g/mol
LogP3.04
Rot. Bonds5

About (4R)-4-propan-2-ylheptan-3-one

(4R)-4-propan-2-ylheptan-3-one (PubChem CID 95003187) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (4R)-4-propan-2-ylheptan-3-one.

Molecular Properties

Compound Name(4R)-4-propan-2-ylheptan-3-one
PubChem CID95003187
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(4R)-4-propan-2-ylheptan-3-one
SMILESCCC[C@@H](C(=O)CC)C(C)C
InChIInChI=1S/C10H20O/c1-5-7-9(8(3)4)10(11)6-2/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyRQWPTYGPCUDNTE-SECBINFHSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-propan-2-ylpentanoic acid
CID 175540570
(4R)-4-methylheptan-3-one
CID 12696684
(2R)-N-methyl-2-propan-2-ylpentanamide
CID 126694823
4,5-dimethyloctan-3-one
CID 107895813
2-methylpentane;2-methylpentan-3-one
CID 160798944
(4S,5R)-5-hydroxy-4-methyloctan-3-one
CID 12759357
8-(methoxymethyl)-12-methyl-4-propan-2-yltridecan-5-one
CID 87205124
4,5,6-trimethylnonan-3-one
CID 142120901
(2S)-3-oxo-2-propylpentanoic acid
CID 40565903
4-aminoheptan-3-one;ethane
CID 143359235
(6R)-6-methylnonan-3-one
CID 11805013
1-hydroxy-4-methylheptan-3-one
CID 87401678

Frequently Asked Questions

What is the IUPAC name of (4R)-4-propan-2-ylheptan-3-one?
The IUPAC name of (4R)-4-propan-2-ylheptan-3-one (CID 95003187) is (4R)-4-propan-2-ylheptan-3-one.
What is the SMILES notation for (4R)-4-propan-2-ylheptan-3-one?
The canonical SMILES for (4R)-4-propan-2-ylheptan-3-one is CCC[C@@H](C(=O)CC)C(C)C.
What is the InChIKey of (4R)-4-propan-2-ylheptan-3-one?
The InChIKey is RQWPTYGPCUDNTE-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7-9(8(3)4)10(11)6-2/h8-9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (4R)-4-propan-2-ylheptan-3-one?
(4R)-4-propan-2-ylheptan-3-one has a molecular weight of 156.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-propan-2-ylheptan-3-one is sourced from PubChem (CID 95003187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).