(3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one

C14H24O5 — CID 134878872

IUPAC(3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H24O5/c1-7(2)9-5-4-8(3)6-10(9)18-14-12(16)11(15)13(17)19-14/h7-12,14-16H,4-6H2,1-3H3/t8-,9+,10-,11+,12-,14-/m0/s1
InChIKeyOGQXVINZYQLXNC-RXSPXGNFSA-N
MW272.34 g/mol
LogP1.07
Rot. Bonds3

About (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one

(3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (PubChem CID 134878872) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
PubChem CID134878872
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H24O5/c1-7(2)9-5-4-8(3)6-10(9)18-14-12(16)11(15)13(17)19-14/h7-12,14-16H,4-6H2,1-3H3/t8-,9+,10-,11+,12-,14-/m0/s1
InChIKeyOGQXVINZYQLXNC-RXSPXGNFSA-N
XLogP1.07
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 129662488
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CID 23244058
(3aR,6S,6aS)-2,2-dimethyl-6-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 134938161
6-Isopropyl-9-methyl-1,4-dioxa-spiro[4.5]decane-2,3-dicarboxylic acid, dimethyl ester
CID 615335
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CID 102415812
(4S,5R)-4-(2-hydroxypropan-2-yl)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 11120077
3-Hydroxy-4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxobutanoic acid
CID 15565218
(5-Methyl-2-propan-2-ylcyclohexyl) 2,3-dihydroxypropanoate
CID 22182805
2,3-Dihydroxy-4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxobutanoic acid
CID 54459474
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2,3-dihydroxypropanoate
CID 58455270
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2-(5-Methyl-2-propan-2-ylcyclohexyl)oxybutanedioic acid
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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The IUPAC name of (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one (CID 134878872) is (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The canonical SMILES for (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
The InChIKey is OGQXVINZYQLXNC-RXSPXGNFSA-N. The full InChI is InChI=1S/C14H24O5/c1-7(2)9-5-4-8(3)6-10(9)18-14-12(16)11(15)13(17)19-14/h7-12,14-16H,4-6H2,1-3H3/t8-,9+,10-,11+,12-,14-/m0/s1.
What are the key properties of (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one?
(3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one has a molecular weight of 272.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one is sourced from PubChem (CID 134878872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).