(5S)-3-methyl-5-propylcyclohex-2-en-1-one

C10H16O — CID 637565

IUPAC(5S)-3-methyl-5-propylcyclohex-2-en-1-one
SMILESCCC[C@@H]1CC(=O)C=C(C)C1
InChIInChI=1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyURQMEZRQHLCJKR-VIFPVBQESA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds2

About (5S)-3-methyl-5-propylcyclohex-2-en-1-one

(5S)-3-methyl-5-propylcyclohex-2-en-1-one (PubChem CID 637565) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (5S)-3-methyl-5-propylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-3-methyl-5-propylcyclohex-2-en-1-one
PubChem CID637565
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(5S)-3-methyl-5-propylcyclohex-2-en-1-one
SMILESCCC[C@@H]1CC(=O)C=C(C)C1
InChIInChI=1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyURQMEZRQHLCJKR-VIFPVBQESA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-5-propylcyclohex-2-en-1-one?
The IUPAC name of (5S)-3-methyl-5-propylcyclohex-2-en-1-one (CID 637565) is (5S)-3-methyl-5-propylcyclohex-2-en-1-one.
What is the SMILES notation for (5S)-3-methyl-5-propylcyclohex-2-en-1-one?
The canonical SMILES for (5S)-3-methyl-5-propylcyclohex-2-en-1-one is CCC[C@@H]1CC(=O)C=C(C)C1.
What is the InChIKey of (5S)-3-methyl-5-propylcyclohex-2-en-1-one?
The InChIKey is URQMEZRQHLCJKR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (5S)-3-methyl-5-propylcyclohex-2-en-1-one?
(5S)-3-methyl-5-propylcyclohex-2-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-5-propylcyclohex-2-en-1-one is sourced from PubChem (CID 637565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).