2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one

C10H16O3 — CID 11469476

IUPAC2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=C(O)C(=O)C(O)(C(C)C)CC1
InChIInChI=1S/C10H16O3/c1-6(2)10(13)5-4-7(3)8(11)9(10)12/h6,11,13H,4-5H2,1-3H3
InChIKeyDMSLPCPZNHHRMJ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds1

About 2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one

2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one (PubChem CID 11469476) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
PubChem CID11469476
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=C(O)C(=O)C(O)(C(C)C)CC1
InChIInChI=1S/C10H16O3/c1-6(2)10(13)5-4-7(3)8(11)9(10)12/h6,11,13H,4-5H2,1-3H3
InChIKeyDMSLPCPZNHHRMJ-UHFFFAOYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of 2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one (CID 11469476) is 2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one is CC1=C(O)C(=O)C(O)(C(C)C)CC1.
What is the InChIKey of 2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is DMSLPCPZNHHRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6(2)10(13)5-4-7(3)8(11)9(10)12/h6,11,13H,4-5H2,1-3H3.
What are the key properties of 2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one?
2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 11469476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).