[(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate

C14H24O3 — CID 57483483

IUPAC[(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate
SMILESCCOC(=O)OC(C)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H24O3/c1-6-16-14(15)17-13(5)10-12(4)9-7-8-11(2)3/h8,10,13H,6-7,9H2,1-5H3/b12-10+
InChIKeySBBKKUXNXMHFAZ-ZRDIBKRKSA-N
MW240.34 g/mol
LogP4.24
Rot. Bonds6

About [(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate

[(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate (PubChem CID 57483483) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is [(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate
PubChem CID57483483
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name[(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate
SMILESCCOC(=O)OC(C)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H24O3/c1-6-16-14(15)17-13(5)10-12(4)9-7-8-11(2)3/h8,10,13H,6-7,9H2,1-5H3/b12-10+
InChIKeySBBKKUXNXMHFAZ-ZRDIBKRKSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 54.24
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 [(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate?
The IUPAC name of [(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate (CID 57483483) is [(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate.
What is the SMILES notation for [(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate?
The canonical SMILES for [(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate is CCOC(=O)OC(C)/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate?
The InChIKey is SBBKKUXNXMHFAZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H24O3/c1-6-16-14(15)17-13(5)10-12(4)9-7-8-11(2)3/h8,10,13H,6-7,9H2,1-5H3/b12-10+.
What are the key properties of [(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate?
[(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate has a molecular weight of 240.34 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4,8-dimethylnona-3,7-dien-2-yl] ethyl carbonate is sourced from PubChem (CID 57483483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).