4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene

C27H44O — CID 91457944

IUPAC4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene
SMILESC=C=CC(COC)=C(C)CC=C(CCC)CCC=CCCC(C)CC(C)=CC
InChIInChI=1S/C27H44O/c1-8-15-26(20-19-25(6)27(16-9-2)22-28-7)18-14-12-11-13-17-24(5)21-23(4)10-3/h10-12,16,20,24H,2,8,13-15,17-19,21-22H2,1,3-7H3
InChIKeyMPCVIEHZYMCJBV-UHFFFAOYSA-N
MW384.65 g/mol
LogP8.52
Rot. Bonds15

About 4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene

4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene (PubChem CID 91457944) has the molecular formula C27H44O and a molecular weight of 384.65 g/mol. Its IUPAC name is 4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene.

Molecular Properties

Compound Name4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene
PubChem CID91457944
Molecular FormulaC27H44O
Molecular Weight384.65 g/mol
Exact Mass384.34
IUPAC Name4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene
SMILESC=C=CC(COC)=C(C)CC=C(CCC)CCC=CCCC(C)CC(C)=CC
InChIInChI=1S/C27H44O/c1-8-15-26(20-19-25(6)27(16-9-2)22-28-7)18-14-12-11-13-17-24(5)21-23(4)10-3/h10-12,16,20,24H,2,8,13-15,17-19,21-22H2,1,3-7H3
InChIKeyMPCVIEHZYMCJBV-UHFFFAOYSA-N
XLogP8.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Retinyl methyl ether
CID 6436634
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2-(9-Methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene
CID 92284
1-Methoxy-3,6-dimethyl-2,7-octadiene
CID 13332107
8-Methoxy-3,6-dimethylocta-1,6-diene
CID 71362032
5-Cyclohexa-1,3-dien-1-yl-1-fluoro-2-(methoxymethyl)-4-methylcyclohexa-1,3-diene
CID 70961035
2-[(Z,6Z)-6-ethylidene-9-methoxy-4-methyl-3-methylidenenon-7-en-2-yl]-6-fluoro-5-[(2Z,4E)-hepta-2,4-dien-4-yl]cyclohexa-1,3-diene
CID 143527532
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11-tetraene
CID 143772429
(3Z,7Z,11E)-3,4,12-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-propoxyoctadeca-1,3,7,11-tetraene
CID 143772475
(3Z,7Z,11E)-2-ethoxy-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772534
(3Z,7Z,11Z)-2-but-3-enoxy-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772692
(3Z,7Z,11E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxyoctadeca-1,3,7,11-tetraene
CID 143772743

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene?
The IUPAC name of 4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene (CID 91457944) is 4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene.
What is the SMILES notation for 4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene?
The canonical SMILES for 4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene is C=C=CC(COC)=C(C)CC=C(CCC)CCC=CCCC(C)CC(C)=CC.
What is the InChIKey of 4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene?
The InChIKey is MPCVIEHZYMCJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44O/c1-8-15-26(20-19-25(6)27(16-9-2)22-28-7)18-14-12-11-13-17-24(5)21-23(4)10-3/h10-12,16,20,24H,2,8,13-15,17-19,21-22H2,1,3-7H3.
What are the key properties of 4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene?
4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene has a molecular weight of 384.65 g/mol, XLogP of 8.52, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5,15,17-trimethyl-8-propylnonadeca-1,2,4,7,11,17-hexaene is sourced from PubChem (CID 91457944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).