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

C23H46O4 — CID 151054589

IUPAC4-methoxy-7-(triethoxymethyl)pentadec-2-ene
SMILESCC=CC(CCC(CCCCCCCC)C(OCC)(OCC)OCC)OC
InChIInChI=1S/C23H46O4/c1-7-12-13-14-15-16-18-21(19-20-22(24-6)17-8-2)23(25-9-3,26-10-4)27-11-5/h8,17,21-22H,7,9-16,18-20H2,1-6H3
InChIKeyMEVNITRCNFOOLJ-UHFFFAOYSA-N
MW386.62 g/mol
LogP6.49
Rot. Bonds19

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

4-methoxy-7-(triethoxymethyl)pentadec-2-ene (PubChem CID 151054589) has the molecular formula C23H46O4 and a molecular weight of 386.62 g/mol. Its IUPAC name is 4-methoxy-7-(triethoxymethyl)pentadec-2-ene.

Molecular Properties

Compound Name4-methoxy-7-(triethoxymethyl)pentadec-2-ene
PubChem CID151054589
Molecular FormulaC23H46O4
Molecular Weight386.62 g/mol
Exact Mass386.34
IUPAC Name4-methoxy-7-(triethoxymethyl)pentadec-2-ene
SMILESCC=CC(CCC(CCCCCCCC)C(OCC)(OCC)OCC)OC
InChIInChI=1S/C23H46O4/c1-7-12-13-14-15-16-18-21(19-20-22(24-6)17-8-2)23(25-9-3,26-10-4)27-11-5/h8,17,21-22H,7,9-16,18-20H2,1-6H3
InChIKeyMEVNITRCNFOOLJ-UHFFFAOYSA-N
XLogP6.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 56.49
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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Related Compounds

(2S,3R,3aR,6E,10E,11aS)-2-methoxy-3,6,10-trimethyl-2-[(E)-3-methylbut-1-enyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan
CID 163041476
(2R,3S,4R,6R)-2-ethenyl-3-ethyl-4-(methoxymethoxy)-6-[(E,2S,3R,4S)-3-methoxy-4-methyloct-6-en-2-yl]oxane
CID 46855104
2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 135050594
(6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene
CID 166444574
2,4-dimethylpentan-3-yl [(E)-docos-9-en-11-yl] carbonate
CID 58356857
2,4-dimethylpentan-3-yl [(Z)-docos-9-en-11-yl] carbonate
CID 58356920
(5E)-7-(6-hydroxy-6-methylundecan-2-yl)oxy-3-methylocta-1,5-diene-2,7-diol
CID 89311256
9-methyl-1,17-bis[1-[(Z)-non-2-enoxy]ethoxy]heptadecane
CID 89721052
[(5Z,8Z)-10-methoxy-2,4-dimethylundeca-5,8-dien-2-yl] (2-methyl-4-propyloctan-3-yl) carbonate
CID 138486306
1-[dec-9-enoxy-[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-4-methoxycyclohexane
CID 140427863
3-[2-(2-Cyclohexylethoxy)propan-2-yloxy]cyclohexene
CID 144156608
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-(triethoxymethyl)pentadec-2-ene?
The IUPAC name of 4-methoxy-7-(triethoxymethyl)pentadec-2-ene (CID 151054589) is 4-methoxy-7-(triethoxymethyl)pentadec-2-ene.
What is the SMILES notation for 4-methoxy-7-(triethoxymethyl)pentadec-2-ene?
The canonical SMILES for 4-methoxy-7-(triethoxymethyl)pentadec-2-ene is CC=CC(CCC(CCCCCCCC)C(OCC)(OCC)OCC)OC.
What is the InChIKey of 4-methoxy-7-(triethoxymethyl)pentadec-2-ene?
The InChIKey is MEVNITRCNFOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O4/c1-7-12-13-14-15-16-18-21(19-20-22(24-6)17-8-2)23(25-9-3,26-10-4)27-11-5/h8,17,21-22H,7,9-16,18-20H2,1-6H3.
What are the key properties of 4-methoxy-7-(triethoxymethyl)pentadec-2-ene?
4-methoxy-7-(triethoxymethyl)pentadec-2-ene has a molecular weight of 386.62 g/mol, XLogP of 6.49, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-(triethoxymethyl)pentadec-2-ene is sourced from PubChem (CID 151054589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).