methyl [(E)-oct-3-en-2-yl] carbonate

C10H18O3 — CID 14170336

IUPACmethyl [(E)-oct-3-en-2-yl] carbonate
SMILESCCCC/C=C/C(C)OC(=O)OC
InChIInChI=1S/C10H18O3/c1-4-5-6-7-8-9(2)13-10(11)12-3/h7-9H,4-6H2,1-3H3/b8-7+
InChIKeyKFDCCBLSNKNFAO-BQYQJAHWSA-N
MW186.25 g/mol
LogP2.90
Rot. Bonds5

About methyl [(E)-oct-3-en-2-yl] carbonate

methyl [(E)-oct-3-en-2-yl] carbonate (PubChem CID 14170336) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl [(E)-oct-3-en-2-yl] carbonate.

Molecular Properties

Compound Namemethyl [(E)-oct-3-en-2-yl] carbonate
PubChem CID14170336
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl [(E)-oct-3-en-2-yl] carbonate
SMILESCCCC/C=C/C(C)OC(=O)OC
InChIInChI=1S/C10H18O3/c1-4-5-6-7-8-9(2)13-10(11)12-3/h7-9H,4-6H2,1-3H3/b8-7+
InChIKeyKFDCCBLSNKNFAO-BQYQJAHWSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oct-3-en-2-yl phenyl carbonate
CID 150709874
[(E,2S)-oct-3-en-2-yl] but-2-ynoate
CID 102214690
[(E)-1-dimethoxyphosphorylhept-2-enyl] methyl carbonate
CID 11437437
methyl (E)-3-methylnon-4-enoate
CID 14170346
[(E,1R)-1-cyanooct-2-enyl] methyl carbonate
CID 102182290
trimethyl(oct-3-en-2-yloxy)silane
CID 531269
[(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate
CID 14368742
[(E)-oct-3-en-2-yl] 2,2,2-trichloroethanimidate
CID 134896774
diethyl 2-[(E)-oct-3-en-2-yl]propanedioate
CID 11369249
methyl (E)-hept-2-enoate
CID 5368087
(Z)-2,3-dimethylnon-4-enoic acid
CID 87090108
trihexyl-[(E)-oct-3-en-2-yl]oxysilane
CID 5353195

Frequently Asked Questions

What is the IUPAC name of methyl [(E)-oct-3-en-2-yl] carbonate?
The IUPAC name of methyl [(E)-oct-3-en-2-yl] carbonate (CID 14170336) is methyl [(E)-oct-3-en-2-yl] carbonate.
What is the SMILES notation for methyl [(E)-oct-3-en-2-yl] carbonate?
The canonical SMILES for methyl [(E)-oct-3-en-2-yl] carbonate is CCCC/C=C/C(C)OC(=O)OC.
What is the InChIKey of methyl [(E)-oct-3-en-2-yl] carbonate?
The InChIKey is KFDCCBLSNKNFAO-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-5-6-7-8-9(2)13-10(11)12-3/h7-9H,4-6H2,1-3H3/b8-7+.
What are the key properties of methyl [(E)-oct-3-en-2-yl] carbonate?
methyl [(E)-oct-3-en-2-yl] carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(E)-oct-3-en-2-yl] carbonate is sourced from PubChem (CID 14170336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).