(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

C20H30O — CID 144676252

IUPAC(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
SMILESC=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)C)OC
InChIInChI=1S/C20H30O/c1-15(2)9-10-16(3)17(4)11-12-18(5)19(6)13-14-20(7)21-8/h11-16H,4-7,9-10H2,1-3,8H3/b12-11-,14-13-
InChIKeyDKHMDSWQQKHNAO-OSZYEJKESA-N
MW286.46 g/mol
LogP6.00
Rot. Bonds10

About (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene

(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (PubChem CID 144676252) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.

Molecular Properties

Compound Name(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
PubChem CID144676252
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
SMILESC=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)C)OC
InChIInChI=1S/C20H30O/c1-15(2)9-10-16(3)17(4)11-12-18(5)19(6)13-14-20(7)21-8/h11-16H,4-7,9-10H2,1-3,8H3/b12-11-,14-13-
InChIKeyDKHMDSWQQKHNAO-OSZYEJKESA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.00
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

(3Z,7Z)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 143727055
(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
CID 144754217
(3Z,7Z)-3,4-difluoro-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 176948900
(3Z)-2,6,9-trimethyl-5-methylidenedeca-1,3-diene
CID 142315243
(3E,7Z)-2-methoxy-3-(2-methoxyethoxy)-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 145122369
(3Z,7Z,11Z)-4-ethyl-2-methoxy-14,17-dimethyl-5,6,9,10,13-pentamethylidenenonadeca-1,3,7,11-tetraene;propane
CID 142281976
(3Z,7Z)-2,10,13-trimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraene
CID 145009658
(4E,8Z)-5-(2-methoxyethoxy)-11,14-dimethyl-3,6,7,10-tetramethylidenepentadeca-4,8-diene;2-methylprop-2-enal
CID 145122813
(3Z)-8-methoxy-2,6-dimethyl-5-methylideneocta-1,3-diene
CID 145192071
N,2,6-trimethylhept-1-en-3-amine
CID 79190078
ethane;(3Z)-5-methoxyhexa-1,3,5-triene-2-thiol
CID 143643726
(5Z)-N,N,3-trimethyl-4-methylidene-7-(trifluoromethoxy)octa-5,7-dien-1-amine
CID 145278538

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The IUPAC name of (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene (CID 144676252) is (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene.
What is the SMILES notation for (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The canonical SMILES for (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is C=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCC(C)C)OC.
What is the InChIKey of (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
The InChIKey is DKHMDSWQQKHNAO-OSZYEJKESA-N. The full InChI is InChI=1S/C20H30O/c1-15(2)9-10-16(3)17(4)11-12-18(5)19(6)13-14-20(7)21-8/h11-16H,4-7,9-10H2,1-3,8H3/b12-11-,14-13-.
What are the key properties of (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene?
(3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene has a molecular weight of 286.46 g/mol, XLogP of 6.00, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-triene is sourced from PubChem (CID 144676252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).