5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one

C10H16O2 — CID 57184771

IUPAC5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one
SMILESCC1=CCC(CC(C)O)CC1=O
InChIInChI=1S/C10H16O2/c1-7-3-4-9(5-8(2)11)6-10(7)12/h3,8-9,11H,4-6H2,1-2H3
InChIKeyDIPDPBMMWHJZEP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds2

About 5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one

5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one (PubChem CID 57184771) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one
PubChem CID57184771
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one
SMILESCC1=CCC(CC(C)O)CC1=O
InChIInChI=1S/C10H16O2/c1-7-3-4-9(5-8(2)11)6-10(7)12/h3,8-9,11H,4-6H2,1-2H3
InChIKeyDIPDPBMMWHJZEP-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one?
The IUPAC name of 5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one (CID 57184771) is 5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for 5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one?
The canonical SMILES for 5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one is CC1=CCC(CC(C)O)CC1=O.
What is the InChIKey of 5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one?
The InChIKey is DIPDPBMMWHJZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-3-4-9(5-8(2)11)6-10(7)12/h3,8-9,11H,4-6H2,1-2H3.
What are the key properties of 5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one?
5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropyl)-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 57184771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).