(7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]

C13H20O3 — CID 59103840

IUPAC(7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
SMILESC/C=C1/COCC2OC3(CCCCC3)OC12
InChIInChI=1S/C13H20O3/c1-2-10-8-14-9-11-12(10)16-13(15-11)6-4-3-5-7-13/h2,11-12H,3-9H2,1H3/b10-2-
InChIKeyCHPQSUROTHMEMH-SGAXSIHGSA-N
MW224.30 g/mol
LogP2.41
Rot. Bonds

About (7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]

(7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] (PubChem CID 59103840) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane].

Molecular Properties

Compound Name(7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
PubChem CID59103840
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]
SMILESC/C=C1/COCC2OC3(CCCCC3)OC12
InChIInChI=1S/C13H20O3/c1-2-10-8-14-9-11-12(10)16-13(15-11)6-4-3-5-7-13/h2,11-12H,3-9H2,1H3/b10-2-
InChIKeyCHPQSUROTHMEMH-SGAXSIHGSA-N
XLogP2.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]?
The IUPAC name of (7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] (CID 59103840) is (7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane].
What is the SMILES notation for (7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]?
The canonical SMILES for (7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] is C/C=C1/COCC2OC3(CCCCC3)OC12.
What is the InChIKey of (7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]?
The InChIKey is CHPQSUROTHMEMH-SGAXSIHGSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-10-8-14-9-11-12(10)16-13(15-11)6-4-3-5-7-13/h2,11-12H,3-9H2,1H3/b10-2-.
What are the key properties of (7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]?
(7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] has a molecular weight of 224.30 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-ethylidenespiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane] is sourced from PubChem (CID 59103840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).