2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one

C10H14O3 — CID 14564325

IUPAC2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one
SMILESC=C1OC(C2CCCCC2)OC1=O
InChIInChI=1S/C10H14O3/c1-7-9(11)13-10(12-7)8-5-3-2-4-6-8/h8,10H,1-6H2
InChIKeyOCVMIMVUZXOECW-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.98
Rot. Bonds1

About 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one

2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one (PubChem CID 14564325) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one
PubChem CID14564325
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one
SMILESC=C1OC(C2CCCCC2)OC1=O
InChIInChI=1S/C10H14O3/c1-7-9(11)13-10(12-7)8-5-3-2-4-6-8/h8,10H,1-6H2
InChIKeyOCVMIMVUZXOECW-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-1,3-dioxin-4-one
CID 13399415
3-methylidene-3a,4,4a,5,6,7,8,8a,9,9a-decahydrobenzo[f][1]benzofuran-2-one
CID 59806532
(4S,5R)-5-cyclohexyl-4-ethyl-4-methyl-3-methylideneoxolan-2-one
CID 11287497
3-methylidene-3a,4,5,6,7,8,9,10,11,12,13,14,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one
CID 14543194
2,3-dicyclohexylcyclopropan-1-one
CID 11172060
3,3a,4,5,6,7,8,8a-octahydrocyclohepta[b]furan-2-one
CID 12654980
(9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one
CID 101268349
(3S,4R)-4-cyclohexyl-3-methyloxetan-2-one
CID 11275238
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
[(2S,3R)-2-cyclohexyl-4-methylideneoxetan-3-yl]-trimethylsilane
CID 72735701

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one?
The IUPAC name of 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one (CID 14564325) is 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one.
What is the SMILES notation for 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one?
The canonical SMILES for 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one is C=C1OC(C2CCCCC2)OC1=O.
What is the InChIKey of 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one?
The InChIKey is OCVMIMVUZXOECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-9(11)13-10(12-7)8-5-3-2-4-6-8/h8,10H,1-6H2.
What are the key properties of 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one?
2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one has a molecular weight of 182.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methylidene-1,3-dioxolan-4-one is sourced from PubChem (CID 14564325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).