4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one

C14H24O6 — CID 140561090

IUPAC4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one
SMILESCC(C)C1CCC(C)(C2(O)OC(=O)OC2(O)CO)CC1
InChIInChI=1S/C14H24O6/c1-9(2)10-4-6-12(3,7-5-10)14(18)13(17,8-15)19-11(16)20-14/h9-10,15,17-18H,4-8H2,1-3H3
InChIKeyNDFJQFHGRLPIRO-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.38
Rot. Bonds3

About 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one

4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one (PubChem CID 140561090) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one
PubChem CID140561090
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one
SMILESCC(C)C1CCC(C)(C2(O)OC(=O)OC2(O)CO)CC1
InChIInChI=1S/C14H24O6/c1-9(2)10-4-6-12(3,7-5-10)14(18)13(17,8-15)19-11(16)20-14/h9-10,15,17-18H,4-8H2,1-3H3
InChIKeyNDFJQFHGRLPIRO-UHFFFAOYSA-N
XLogP1.38
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one with MolForge

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Related Compounds

cis-(2S,5S)-2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohexan-1-one
CID 130926086
(3aS,6R,7aS)-7a-hydroxy-3a-methyl-6-propan-2-yl-3-prop-2-enyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 11779991
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
2-oxo-8-propan-2-yl-1-oxaspiro[4.5]decane-3-carboxylic acid
CID 71446662
4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid
CID 145410346
2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 130150641
N-(1-methyl-4-propan-2-ylcyclohexyl)acetamide
CID 146393556
1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde
CID 130035277
(5R)-2,2-dimethyl-5-propan-2-ylpiperidine
CID 139339152
9-propan-2-yl-1,5-dioxaspiro[5.5]undecane
CID 6455055
1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol
CID 156700086
CID 174102089
CID 174102089

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one?
The IUPAC name of 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one (CID 140561090) is 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one is CC(C)C1CCC(C)(C2(O)OC(=O)OC2(O)CO)CC1.
What is the InChIKey of 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one?
The InChIKey is NDFJQFHGRLPIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-9(2)10-4-6-12(3,7-5-10)14(18)13(17,8-15)19-11(16)20-14/h9-10,15,17-18H,4-8H2,1-3H3.
What are the key properties of 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one?
4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one has a molecular weight of 288.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 140561090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).