3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one

C15H26O5 — CID 140633957

IUPAC3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one
SMILESO=C(CCC1CCC(O)CC1)C1C(O)CC(O)CC1O
InChIInChI=1S/C15H26O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h9-11,13-17,19-20H,1-8H2
InChIKeyQVMASLNPQHLJCQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.38
Rot. Bonds4

About 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one

3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one (PubChem CID 140633957) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one
PubChem CID140633957
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one
SMILESO=C(CCC1CCC(O)CC1)C1C(O)CC(O)CC1O
InChIInChI=1S/C15H26O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h9-11,13-17,19-20H,1-8H2
InChIKeyQVMASLNPQHLJCQ-UHFFFAOYSA-N
XLogP0.38
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one
CID 116584980
bis[2-(4-hydroxycyclohexyl)ethyl] carbonate
CID 140760910
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
CID 114978161
5-[2-(4-hydroxycyclohexyl)ethyl]-2-methylcyclohexane-1,3-diol
CID 170203236
3-(4-aminocyclohexyl)-N-(4-hydroxycyclohexyl)propanamide
CID 62776158
3-(4-aminocyclohexyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63769674
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978305
3-cyclopropylpropanamide
CID 53414720
3-cyclopropylpropanethioic S-acid
CID 57066246
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
3-(4-hydroxycyclohexyl)propanenitrile
CID 14022803

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one?
The IUPAC name of 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one (CID 140633957) is 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one is O=C(CCC1CCC(O)CC1)C1C(O)CC(O)CC1O.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one?
The InChIKey is QVMASLNPQHLJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h9-11,13-17,19-20H,1-8H2.
What are the key properties of 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one?
3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one has a molecular weight of 286.37 g/mol, XLogP of 0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-1-(2,4,6-trihydroxycyclohexyl)propan-1-one is sourced from PubChem (CID 140633957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).