2-methoxy-5-pent-4-en-2-yldecan-4-one

C16H30O2 — CID 91276197

IUPAC2-methoxy-5-pent-4-en-2-yldecan-4-one
SMILESC=CCC(C)C(CCCCC)C(=O)CC(C)OC
InChIInChI=1S/C16H30O2/c1-6-8-9-11-15(13(3)10-7-2)16(17)12-14(4)18-5/h7,13-15H,2,6,8-12H2,1,3-5H3
InChIKeyCBPMPWKXPBEWPV-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.39
Rot. Bonds11

About 2-methoxy-5-pent-4-en-2-yldecan-4-one

2-methoxy-5-pent-4-en-2-yldecan-4-one (PubChem CID 91276197) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-methoxy-5-pent-4-en-2-yldecan-4-one.

Molecular Properties

Compound Name2-methoxy-5-pent-4-en-2-yldecan-4-one
PubChem CID91276197
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-methoxy-5-pent-4-en-2-yldecan-4-one
SMILESC=CCC(C)C(CCCCC)C(=O)CC(C)OC
InChIInChI=1S/C16H30O2/c1-6-8-9-11-15(13(3)10-7-2)16(17)12-14(4)18-5/h7,13-15H,2,6,8-12H2,1,3-5H3
InChIKeyCBPMPWKXPBEWPV-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-pent-4-en-2-yldecan-4-one?
The IUPAC name of 2-methoxy-5-pent-4-en-2-yldecan-4-one (CID 91276197) is 2-methoxy-5-pent-4-en-2-yldecan-4-one.
What is the SMILES notation for 2-methoxy-5-pent-4-en-2-yldecan-4-one?
The canonical SMILES for 2-methoxy-5-pent-4-en-2-yldecan-4-one is C=CCC(C)C(CCCCC)C(=O)CC(C)OC.
What is the InChIKey of 2-methoxy-5-pent-4-en-2-yldecan-4-one?
The InChIKey is CBPMPWKXPBEWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-8-9-11-15(13(3)10-7-2)16(17)12-14(4)18-5/h7,13-15H,2,6,8-12H2,1,3-5H3.
What are the key properties of 2-methoxy-5-pent-4-en-2-yldecan-4-one?
2-methoxy-5-pent-4-en-2-yldecan-4-one has a molecular weight of 254.41 g/mol, XLogP of 4.39, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-pent-4-en-2-yldecan-4-one is sourced from PubChem (CID 91276197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).