[(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate

C11H20O3 — CID 101081249

IUPAC[(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate
SMILESCOC(=O)OC(/C=C/C(C)C)C(C)C
InChIInChI=1S/C11H20O3/c1-8(2)6-7-10(9(3)4)14-11(12)13-5/h6-10H,1-5H3/b7-6+
InChIKeyJWYSBUHARHVQDT-VOTSOKGWSA-N
MW200.28 g/mol
LogP3.01
Rot. Bonds4

About [(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate

[(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate (PubChem CID 101081249) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate.

Molecular Properties

Compound Name[(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate
PubChem CID101081249
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate
SMILESCOC(=O)OC(/C=C/C(C)C)C(C)C
InChIInChI=1S/C11H20O3/c1-8(2)6-7-10(9(3)4)14-11(12)13-5/h6-10H,1-5H3/b7-6+
InChIKeyJWYSBUHARHVQDT-VOTSOKGWSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2,6-dimethylhept-4-en-3-yl] acetate
CID 24741676
2,4-dimethylpentan-3-yl methyl carbonate
CID 59320466
bis(2,4-dimethylpentan-3-yl) carbonate
CID 87168840
methyl [(E)-oct-3-en-2-yl] carbonate
CID 14170336
methyl (2,2,4-trimethyl-1-oxopentan-3-yl) carbonate
CID 57118798
methyl (Z)-5-methylhex-3-enoate
CID 117268010
N-[(E)-3-methylbut-1-enyl]acetamide
CID 12626390
dimethoxymethyl methyl carbonate
CID 139686199
dimethyl carbonate;ethane
CID 160632176
methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate
CID 101353840
[(E)-4-methyl-1-nitropent-1-en-3-yl] acetate
CID 10352429
1-cyanoethyl methyl carbonate
CID 87981659

Frequently Asked Questions

What is the IUPAC name of [(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate?
The IUPAC name of [(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate (CID 101081249) is [(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate.
What is the SMILES notation for [(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate?
The canonical SMILES for [(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate is COC(=O)OC(/C=C/C(C)C)C(C)C.
What is the InChIKey of [(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate?
The InChIKey is JWYSBUHARHVQDT-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(2)6-7-10(9(3)4)14-11(12)13-5/h6-10H,1-5H3/b7-6+.
What are the key properties of [(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate?
[(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,6-dimethylhept-4-en-3-yl] methyl carbonate is sourced from PubChem (CID 101081249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).