4-methoxy-7-(trimethoxymethyl)pentadec-2-ene

C20H40O4 — CID 151405643

IUPAC4-methoxy-7-(trimethoxymethyl)pentadec-2-ene
SMILESCC=CC(CCC(CCCCCCCC)C(OC)(OC)OC)OC
InChIInChI=1S/C20H40O4/c1-7-9-10-11-12-13-15-18(20(22-4,23-5)24-6)16-17-19(21-3)14-8-2/h8,14,18-19H,7,9-13,15-17H2,1-6H3
InChIKeyOXLCVTJEIRIPDU-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.32
Rot. Bonds16

About 4-methoxy-7-(trimethoxymethyl)pentadec-2-ene

4-methoxy-7-(trimethoxymethyl)pentadec-2-ene (PubChem CID 151405643) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is 4-methoxy-7-(trimethoxymethyl)pentadec-2-ene.

Molecular Properties

Compound Name4-methoxy-7-(trimethoxymethyl)pentadec-2-ene
PubChem CID151405643
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name4-methoxy-7-(trimethoxymethyl)pentadec-2-ene
SMILESCC=CC(CCC(CCCCCCCC)C(OC)(OC)OC)OC
InChIInChI=1S/C20H40O4/c1-7-9-10-11-12-13-15-18(20(22-4,23-5)24-6)16-17-19(21-3)14-8-2/h8,14,18-19H,7,9-13,15-17H2,1-6H3
InChIKeyOXLCVTJEIRIPDU-UHFFFAOYSA-N
XLogP5.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-(trimethoxymethyl)pentadec-2-ene?
The IUPAC name of 4-methoxy-7-(trimethoxymethyl)pentadec-2-ene (CID 151405643) is 4-methoxy-7-(trimethoxymethyl)pentadec-2-ene.
What is the SMILES notation for 4-methoxy-7-(trimethoxymethyl)pentadec-2-ene?
The canonical SMILES for 4-methoxy-7-(trimethoxymethyl)pentadec-2-ene is CC=CC(CCC(CCCCCCCC)C(OC)(OC)OC)OC.
What is the InChIKey of 4-methoxy-7-(trimethoxymethyl)pentadec-2-ene?
The InChIKey is OXLCVTJEIRIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c1-7-9-10-11-12-13-15-18(20(22-4,23-5)24-6)16-17-19(21-3)14-8-2/h8,14,18-19H,7,9-13,15-17H2,1-6H3.
What are the key properties of 4-methoxy-7-(trimethoxymethyl)pentadec-2-ene?
4-methoxy-7-(trimethoxymethyl)pentadec-2-ene has a molecular weight of 344.54 g/mol, XLogP of 5.32, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-(trimethoxymethyl)pentadec-2-ene is sourced from PubChem (CID 151405643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).