[(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate

C15H26O3 — CID 10912091

IUPAC[(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate
SMILESCOC(=O)O[C@H](C)/C=C/C[C@H](C)CCC=C(C)C
InChIInChI=1S/C15H26O3/c1-12(2)8-6-9-13(3)10-7-11-14(4)18-15(16)17-5/h7-8,11,13-14H,6,9-10H2,1-5H3/b11-7+/t13-,14-/m1/s1
InChIKeyYKXLMTGKBHZKQL-VAZNYKRKSA-N
MW254.37 g/mol
LogP4.49
Rot. Bonds7

About [(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate

[(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate (PubChem CID 10912091) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is [(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate.

Molecular Properties

Compound Name[(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate
PubChem CID10912091
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name[(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate
SMILESCOC(=O)O[C@H](C)/C=C/C[C@H](C)CCC=C(C)C
InChIInChI=1S/C15H26O3/c1-12(2)8-6-9-13(3)10-7-11-14(4)18-15(16)17-5/h7-8,11,13-14H,6,9-10H2,1-5H3/b11-7+/t13-,14-/m1/s1
InChIKeyYKXLMTGKBHZKQL-VAZNYKRKSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate?
The IUPAC name of [(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate (CID 10912091) is [(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate.
What is the SMILES notation for [(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate?
The canonical SMILES for [(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate is COC(=O)O[C@H](C)/C=C/C[C@H](C)CCC=C(C)C.
What is the InChIKey of [(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate?
The InChIKey is YKXLMTGKBHZKQL-VAZNYKRKSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)8-6-9-13(3)10-7-11-14(4)18-15(16)17-5/h7-8,11,13-14H,6,9-10H2,1-5H3/b11-7+/t13-,14-/m1/s1.
What are the key properties of [(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate?
[(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate has a molecular weight of 254.37 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3E,6R)-6,10-dimethylundeca-3,9-dien-2-yl] methyl carbonate is sourced from PubChem (CID 10912091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).