(5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one

C10H16O3 — CID 10419871

IUPAC(5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one
SMILESCC1OC(=O)[C@H](C2CCCCC2)O1
InChIInChI=1S/C10H16O3/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3/t7?,9-/m0/s1
InChIKeyYSCZSUMMGFWWAT-NETXQHHPSA-N
MW184.23 g/mol
LogP1.85
Rot. Bonds1

About (5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one

(5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one (PubChem CID 10419871) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one
PubChem CID10419871
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one
SMILESCC1OC(=O)[C@H](C2CCCCC2)O1
InChIInChI=1S/C10H16O3/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3/t7?,9-/m0/s1
InChIKeyYSCZSUMMGFWWAT-NETXQHHPSA-N
XLogP1.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-2-tert-butyl-5-(cyclohexylmethyl)-1,3-dioxolan-4-one
CID 101336634
2-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexanone
CID 10774339
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 15700391
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 20711792
[2,2-Bis(trifluoromethyl)-4-oxo-1,3-dioxolan-5-yl]methyl cyclohexane
CID 22615244
2-(1-Ethylpentyl)-5-methyl-1,3-dioxolan-4-one
CID 296385
1,3-Dioxolan-4-one, 2-(1,1-dimethylethyl)-5-heptyl-5-methyl
CID 588520
3-[2-(1,3-Dioxolan-2-yl)ethyl]cyclohexanone
CID 11183218
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
1-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134856789
(1-Tert-butylperoxy-2-ethoxy-2-oxoethyl) cyclohexanecarboxylate
CID 178251959
(2-(1-Ethylpentyl)-1,3-dioxolan-4-yl)methyl laurate
CID 11971426

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one?
The IUPAC name of (5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one (CID 10419871) is (5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one is CC1OC(=O)[C@H](C2CCCCC2)O1.
What is the InChIKey of (5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one?
The InChIKey is YSCZSUMMGFWWAT-NETXQHHPSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3/t7?,9-/m0/s1.
What are the key properties of (5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one?
(5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one has a molecular weight of 184.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclohexyl-2-methyl-1,3-dioxolan-4-one is sourced from PubChem (CID 10419871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).