(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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Related Compounds

Cyclohept-2-enyl methyl carbonate
CID 11378741
[(2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 15550934
(E)-8-(methoxymethoxy)tridec-6-ene
CID 13267433
(1S)-Cyclohept-2-en-1-yl methyl carbonate
CID 45091108
methyl [(E)-oct-2-en-4-yl] carbonate
CID 101580372
[(1S,2Z)-cyclooct-2-en-1-yl] methyl carbonate
CID 102005455
[(12R)-1,7-dioxaspiro[5.6]dodec-10-en-12-yl] acetate
CID 134858490
propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate
CID 135076991
4-Pentyl-4,7-dihydro-1,3-dioxepine
CID 135085663
6-Butyl-2-methoxy-2-methyl-1,7,10-trioxaspiro[4.5]dec-3-ene
CID 162407453
[(3aS,4R,8S,8aR)-4-acetyloxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl] acetate
CID 10517154
[(3aS,4R,8R,8aR)-4-acetyloxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl] acetate
CID 11150290

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).