(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile

C15H17N — CID 144813060

IUPAC(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
SMILESC=C(C#N)/C=C\C(=C)C(=C)/C=C(\C)C(=C)C
InChIInChI=1S/C15H17N/c1-11(2)14(5)9-15(6)13(4)8-7-12(3)10-16/h7-9H,1,3-4,6H2,2,5H3/b8-7-,14-9-
InChIKeyZWXRMHJPFPRNIK-SIBSCAOJSA-N
MW211.31 g/mol
LogP4.26
Rot. Bonds5

About (3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile

(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile (PubChem CID 144813060) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is (3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile.

Molecular Properties

Compound Name(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
PubChem CID144813060
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile
SMILESC=C(C#N)/C=C\C(=C)C(=C)/C=C(\C)C(=C)C
InChIInChI=1S/C15H17N/c1-11(2)14(5)9-15(6)13(4)8-7-12(3)10-16/h7-9H,1,3-4,6H2,2,5H3/b8-7-,14-9-
InChIKeyZWXRMHJPFPRNIK-SIBSCAOJSA-N
XLogP4.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
(2E,6Z)-2-ethenyl-8-methyl-4,5-dimethylidenenona-2,6,8-trienenitrile
CID 153394347
5-fluoro-2-methylidenehexa-3,5-dienenitrile
CID 123637801
formaldehyde;(3E)-4-methoxy-5-methyl-2-methylidenehexa-3,5-dienenitrile
CID 145007766
ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile
CID 176714944
(3E)-4-acetyl-5-hydroxy-2-methylidenehexa-3,5-dienenitrile
CID 142115713
(Z,2E)-2-ethylidene-5-methylidene-6-oxohept-3-enenitrile
CID 138502287
(3E)-3,6-dimethyl-5-methylidenehepta-3,6-dien-2-one
CID 143344295
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3E)-4,5-dimethylhexa-1,3,5-triene-2-thiol
CID 176921719
(3Z,6E)-6-methyl-9-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylidene-8-methylimino-9-oxonona-3,6-dienenitrile
CID 142600044
(E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile
CID 123508505

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile?
The IUPAC name of (3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile (CID 144813060) is (3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile.
What is the SMILES notation for (3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile?
The canonical SMILES for (3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile is C=C(C#N)/C=C\C(=C)C(=C)/C=C(\C)C(=C)C.
What is the InChIKey of (3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile?
The InChIKey is ZWXRMHJPFPRNIK-SIBSCAOJSA-N. The full InChI is InChI=1S/C15H17N/c1-11(2)14(5)9-15(6)13(4)8-7-12(3)10-16/h7-9H,1,3-4,6H2,2,5H3/b8-7-,14-9-.
What are the key properties of (3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile?
(3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile has a molecular weight of 211.31 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-8,9-dimethyl-2,5,6-trimethylidenedeca-3,7,9-trienenitrile is sourced from PubChem (CID 144813060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).