(2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate

C11H16O6 — CID 23092741

IUPAC(2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate
SMILESCOC(=O)OC1C=CCCCC1OC(=O)OC
InChIInChI=1S/C11H16O6/c1-14-10(12)16-8-6-4-3-5-7-9(8)17-11(13)15-2/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyYVKYOTSHJDOAAJ-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.03
Rot. Bonds2

About (2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate

(2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate (PubChem CID 23092741) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is (2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate.

Molecular Properties

Compound Name(2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate
PubChem CID23092741
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name(2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate
SMILESCOC(=O)OC1C=CCCCC1OC(=O)OC
InChIInChI=1S/C11H16O6/c1-14-10(12)16-8-6-4-3-5-7-9(8)17-11(13)15-2/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyYVKYOTSHJDOAAJ-UHFFFAOYSA-N
XLogP2.03
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate?
The IUPAC name of (2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate (CID 23092741) is (2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate.
What is the SMILES notation for (2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate?
The canonical SMILES for (2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate is COC(=O)OC1C=CCCCC1OC(=O)OC.
What is the InChIKey of (2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate?
The InChIKey is YVKYOTSHJDOAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-14-10(12)16-8-6-4-3-5-7-9(8)17-11(13)15-2/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of (2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate?
(2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate has a molecular weight of 244.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycarbonyloxycyclohept-3-en-1-yl) methyl carbonate is sourced from PubChem (CID 23092741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).