(3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene

C29H42O — CID 142282893

IUPAC(3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C=C(/CC)C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC
InChIInChI=1S/C29H42O/c1-12-21(3)14-15-22(4)23(5)16-17-25(7)28(10)29(13-2)20-26(8)24(6)18-19-27(9)30-11/h16-22H,5-10,12-15H2,1-4,11H3/b17-16-,19-18-,29-20-
InChIKeyQSCKJEVOHHXAJA-XNXMYLCTSA-N
MW406.65 g/mol
LogP8.84
Rot. Bonds15

About (3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene

(3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene (PubChem CID 142282893) has the molecular formula C29H42O and a molecular weight of 406.65 g/mol. Its IUPAC name is (3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene
PubChem CID142282893
Molecular FormulaC29H42O
Molecular Weight406.65 g/mol
Exact Mass406.32
IUPAC Name(3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C=C(/CC)C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC
InChIInChI=1S/C29H42O/c1-12-21(3)14-15-22(4)23(5)16-17-25(7)28(10)29(13-2)20-26(8)24(6)18-19-27(9)30-11/h16-22H,5-10,12-15H2,1-4,11H3/b17-16-,19-18-,29-20-
InChIKeyQSCKJEVOHHXAJA-XNXMYLCTSA-N
XLogP8.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.65
LogP ≤ 58.84
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)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene with MolForge

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Launch Full Analysis

Related Compounds

Retinyl methyl ether
CID 6436634
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CID 92284
(3E,11Z,15Z)-4,11,12-trifluoro-2-methoxy-6,9-dimethyl-5,10,13,14,17-pentamethylidenenonadeca-1,3,11,15-tetraene
CID 88953273
2-(Fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene
CID 91288012
(1Z,3E,5E,7E,9E)-11-butyl-10-ethenyl-3-ethoxy-1,2-difluoro-14-methylpentadeca-1,3,5,7,9-pentaene
CID 126727542
(3Z)-3,4-difluoro-2-methoxy-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-diene
CID 137398084
1-[(3Z,4E,8Z)-10-(difluoromethoxy)-3-ethylidene-5-fluoro-6,7-dimethylideneundeca-4,8,10-trienyl]-4-methylcyclohexane
CID 141898719
1-[(4Z,8Z)-10-(difluoromethoxy)-3,6,7-trimethylideneundeca-4,8,10-trienyl]-4-methylcyclohexane
CID 141898720
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
5-(4-Ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 143612329
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene
CID 143772369

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene?
The IUPAC name of (3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene (CID 142282893) is (3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene.
What is the SMILES notation for (3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene?
The canonical SMILES for (3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene is C=C(/C=C\C(=C)C(=C)/C=C(/CC)C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)CC)OC.
What is the InChIKey of (3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene?
The InChIKey is QSCKJEVOHHXAJA-XNXMYLCTSA-N. The full InChI is InChI=1S/C29H42O/c1-12-21(3)14-15-22(4)23(5)16-17-25(7)28(10)29(13-2)20-26(8)24(6)18-19-27(9)30-11/h16-22H,5-10,12-15H2,1-4,11H3/b17-16-,19-18-,29-20-.
What are the key properties of (3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene?
(3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene has a molecular weight of 406.65 g/mol, XLogP of 8.84, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-8-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene is sourced from PubChem (CID 142282893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).