[(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate

C16H26O7 — CID 118460768

IUPAC[(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(OC(=O)OC)CC(OC(C)(C)C)CC1
InChIInChI=1S/C16H26O7/c1-16(2,3)23-13-9-7-11(21-14(17)19-4)6-8-12(10-13)22-15(18)20-5/h6,8,11-13H,7,9-10H2,1-5H3/b8-6-
InChIKeyXKODXJRMJJIEAW-VURMDHGXSA-N
MW330.38 g/mol
LogP3.21
Rot. Bonds3

About [(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate

[(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate (PubChem CID 118460768) has the molecular formula C16H26O7 and a molecular weight of 330.38 g/mol. Its IUPAC name is [(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
PubChem CID118460768
Molecular FormulaC16H26O7
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC Name[(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\C(OC(=O)OC)CC(OC(C)(C)C)CC1
InChIInChI=1S/C16H26O7/c1-16(2,3)23-13-9-7-11(21-14(17)19-4)6-8-12(10-13)22-15(18)20-5/h6,8,11-13H,7,9-10H2,1-5H3/b8-6-
InChIKeyXKODXJRMJJIEAW-VURMDHGXSA-N
XLogP3.21
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
CID 118460742
[(2E)-6-methoxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 121291255
[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 90184256
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate
CID 90183035
[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate
CID 90182652
[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458844
[(6E)-5-[(2-methylpropan-2-yl)oxy]-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-8-yl] propan-2-yl carbonate
CID 134387388
[(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate
CID 122495968
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
CID 10514412
[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate
CID 118550746
[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547647

Frequently Asked Questions

What is the IUPAC name of [(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
The IUPAC name of [(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate (CID 118460768) is [(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate is COC(=O)OC1/C=C\C(OC(=O)OC)CC(OC(C)(C)C)CC1.
What is the InChIKey of [(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
The InChIKey is XKODXJRMJJIEAW-VURMDHGXSA-N. The full InChI is InChI=1S/C16H26O7/c1-16(2,3)23-13-9-7-11(21-14(17)19-4)6-8-12(10-13)22-15(18)20-5/h6,8,11-13H,7,9-10H2,1-5H3/b8-6-.
What are the key properties of [(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate?
[(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate has a molecular weight of 330.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-methoxycarbonyloxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 118460768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).