(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

C20H30O — CID 142281126

IUPAC(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
SMILESC=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCCC)OCC
InChIInChI=1S/C20H30O/c1-8-10-11-16(3)17(4)12-13-18(5)19(6)14-15-20(7)21-9-2/h12-16H,4-11H2,1-3H3/b13-12-,15-14-
InChIKeySLJCMOUZPQGHJT-ZJQKOVPWSA-N
MW286.46 g/mol
LogP6.14
Rot. Bonds11

About (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (PubChem CID 142281126) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.

Molecular Properties

Compound Name(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
PubChem CID142281126
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
SMILESC=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCCC)OCC
InChIInChI=1S/C20H30O/c1-8-10-11-16(3)17(4)12-13-18(5)19(6)14-15-20(7)21-9-2/h12-16H,4-11H2,1-3H3/b13-12-,15-14-
InChIKeySLJCMOUZPQGHJT-ZJQKOVPWSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.14
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'}

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Related Compounds

1-Ethoxy-3,6-dimethyl-2,7-octadiene
CID 87448288
3,6-Dimethyl-1-propoxy-2,7-octadiene
CID 91496108
(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
8-Methyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)cycloocta-1,3,5-triene
CID 91033486
4-(2,2-Difluoroethoxy)-1-hexan-2-ylcyclohepta-1,3,5-triene
CID 91198045
4-(2,2-Difluoroethoxy)-1-(3-methylhexan-2-yl)cyclohepta-1,3,5-triene
CID 91552862
(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,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
(1Z)-4-methyl-2-methylidene-1-[(4Z,8Z,12Z)-4,5,12,13-tetrafluoro-2,3,6,7,10,11-hexamethylidene-14-prop-2-enoxypentadeca-4,8,12,14-tetraenylidene]cyclohexane
CID 143772372
(3Z,7Z,11E)-2-butoxy-3,4,11-trifluoro-14,17-dimethyl-5,6,9,10,13-pentamethylideneoctadeca-1,3,7,11-tetraene
CID 143772417
(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,14E)-3,4,12-trifluoro-14,17,18,21-tetramethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11,14-pentaene
CID 143772470

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The IUPAC name of (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (CID 142281126) is (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.
What is the SMILES notation for (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The canonical SMILES for (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is C=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCCC)OCC.
What is the InChIKey of (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The InChIKey is SLJCMOUZPQGHJT-ZJQKOVPWSA-N. The full InChI is InChI=1S/C20H30O/c1-8-10-11-16(3)17(4)12-13-18(5)19(6)14-15-20(7)21-9-2/h12-16H,4-11H2,1-3H3/b13-12-,15-14-.
What are the key properties of (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene has a molecular weight of 286.46 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is sourced from PubChem (CID 142281126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).