(3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane

C32H50O — CID 142281976

IUPAC(3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane
SMILESC=C(/C=C(/CC)C(=C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC.CCC
InChIInChI=1S/C29H42O.C3H8/c1-12-21(3)14-15-22(4)23(5)16-17-24(6)25(7)18-19-26(8)28(10)29(13-2)20-27(9)30-11;1-3-2/h16-22H,5-10,12-15H2,1-4,11H3;3H2,1-2H3/b17-16-,19-18-,29-20-;
InChIKeyUMAZCUZMLIUTCF-WUZQCVMJSA-N
MW450.75 g/mol
LogP10.26
Rot. Bonds15

About (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane

(3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane (PubChem CID 142281976) has the molecular formula C32H50O and a molecular weight of 450.75 g/mol. Its IUPAC name is (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane.

Molecular Properties

Compound Name(3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane
PubChem CID142281976
Molecular FormulaC32H50O
Molecular Weight450.75 g/mol
Exact Mass450.39
IUPAC Name(3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane
SMILESC=C(/C=C(/CC)C(=C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC.CCC
InChIInChI=1S/C29H42O.C3H8/c1-12-21(3)14-15-22(4)23(5)16-17-24(6)25(7)18-19-26(8)28(10)29(13-2)20-27(9)30-11;1-3-2/h16-22H,5-10,12-15H2,1-4,11H3;3H2,1-2H3/b17-16-,19-18-,29-20-;
InChIKeyUMAZCUZMLIUTCF-WUZQCVMJSA-N
XLogP10.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.75
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane with MolForge

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Related Compounds

(4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene
CID 145235202
[(3Z,7Z,11Z)-3-(1-methoxyethenyl)-8,14,17-trimethyl-5,6,9,10,13-pentamethylidenenonadeca-3,7,11-trienyl] formate;2-methylprop-1-ene
CID 145122378
(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 144676252
(Z)-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene
CID 144714644
ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
CID 143901355
(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile
CID 142297576
(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 176948900
[(2E,6E)-2-but-1-en-2-yl-6-fluoro-9,12-dimethyl-4,5,8-trimethylidenetetradeca-2,6-dienyl] acetate
CID 145122796
(4E,8Z)-5-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;2-methylprop-2-enal
CID 145122813
(4Z,8Z,12Z)-8-ethyl-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;N-methyl-N-methylsulfanylmethanamine;propane
CID 145235020
(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 145122369
(3Z,7Z)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 143727055

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane?
The IUPAC name of (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane (CID 142281976) is (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane.
What is the SMILES notation for (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane?
The canonical SMILES for (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane is C=C(/C=C(/CC)C(=C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC.CCC.
What is the InChIKey of (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane?
The InChIKey is UMAZCUZMLIUTCF-WUZQCVMJSA-N. The full InChI is InChI=1S/C29H42O.C3H8/c1-12-21(3)14-15-22(4)23(5)16-17-24(6)25(7)18-19-26(8)28(10)29(13-2)20-27(9)30-11;1-3-2/h16-22H,5-10,12-15H2,1-4,11H3;3H2,1-2H3/b17-16-,19-18-,29-20-;.
What are the key properties of (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane?
(3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane has a molecular weight of 450.75 g/mol, XLogP of 10.26, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane is sourced from PubChem (CID 142281976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).