4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate

C14H24O3 — CID 91096745

IUPAC4,8-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
InChIKeySBBKKUXNXMHFAZ-UHFFFAOYSA-N
MW240.34 g/mol
LogP4.24
Rot. Bonds6

About 4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate

4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate (PubChem CID 91096745) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate.

Molecular Properties

Compound Name4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate
PubChem CID91096745
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name4,8-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
InChIKeySBBKKUXNXMHFAZ-UHFFFAOYSA-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 4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate?
The IUPAC name of 4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate (CID 91096745) is 4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate.
What is the SMILES notation for 4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate?
The canonical SMILES for 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 4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate?
The InChIKey is SBBKKUXNXMHFAZ-UHFFFAOYSA-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.
What are the key properties of 4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate?
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 4,8-dimethylnona-3,7-dien-2-yl ethyl carbonate is sourced from PubChem (CID 91096745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).