3-methyl-5-propylcyclohex-2-en-1-one

C10H16O — CID 3782139

IUPAC3-methyl-5-propylcyclohex-2-en-1-one
SMILESCCCC1CC(=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
InChIKeyURQMEZRQHLCJKR-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds2

About 3-methyl-5-propylcyclohex-2-en-1-one

3-methyl-5-propylcyclohex-2-en-1-one (PubChem CID 3782139) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methyl-5-propylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methyl-5-propylcyclohex-2-en-1-one
PubChem CID3782139
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-methyl-5-propylcyclohex-2-en-1-one
SMILESCCCC1CC(=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
InChIKeyURQMEZRQHLCJKR-UHFFFAOYSA-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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Related Compounds

Carvone, (+)-
CID 16724
Isophorone
CID 6544
Carvone, (+-)-
CID 7439
(+)-Pulegone
CID 442495
Carvone, (-)-
CID 439570
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
CID 5372174
(+-)-Piperitone
CID 6987
Ketoisophorone
CID 62374
3-Methyl-2-cyclohexen-1-one
CID 14511
Piperitenone
CID 381152
Piperitone, L-
CID 107561
4-Isopropyl-2-cyclohexenone
CID 92780

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propylcyclohex-2-en-1-one?
The IUPAC name of 3-methyl-5-propylcyclohex-2-en-1-one (CID 3782139) is 3-methyl-5-propylcyclohex-2-en-1-one.
What is the SMILES notation for 3-methyl-5-propylcyclohex-2-en-1-one?
The canonical SMILES for 3-methyl-5-propylcyclohex-2-en-1-one is CCCC1CC(=O)C=C(C)C1.
What is the InChIKey of 3-methyl-5-propylcyclohex-2-en-1-one?
The InChIKey is URQMEZRQHLCJKR-UHFFFAOYSA-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.
What are the key properties of 3-methyl-5-propylcyclohex-2-en-1-one?
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 3-methyl-5-propylcyclohex-2-en-1-one is sourced from PubChem (CID 3782139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).