(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile

C15H23N — CID 142297576

IUPAC(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile
SMILESC=C(C#N)/C=C\C(=C)C(C)CCC(C)CC
InChIInChI=1S/C15H23N/c1-6-12(2)7-9-14(4)15(5)10-8-13(3)11-16/h8,10,12,14H,3,5-7,9H2,1-2,4H3/b10-8-
InChIKeyLCKAMOZWEOYCHM-NTMALXAHSA-N
MW217.36 g/mol
LogP4.64
Rot. Bonds7

About (Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile

(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile (PubChem CID 142297576) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile.

Molecular Properties

Compound Name(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile
PubChem CID142297576
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile
SMILESC=C(C#N)/C=C\C(=C)C(C)CCC(C)CC
InChIInChI=1S/C15H23N/c1-6-12(2)7-9-14(4)15(5)10-8-13(3)11-16/h8,10,12,14H,3,5-7,9H2,1-2,4H3/b10-8-
InChIKeyLCKAMOZWEOYCHM-NTMALXAHSA-N
XLogP4.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.64
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

(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
(4Z,8Z,12Z)-8-ethyl-15,18-dimethyl-3,6,7,10,11,14-hexamethylideneicosa-4,8,12-triene
CID 145235202
(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)-2,6,9-trimethyl-5-methylidenedeca-1,3-diene
CID 142315243
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
[(8Z)-3,6,10-trimethyl-7-methylideneundeca-8,10-dienyl]benzene
CID 145464220
(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol
CID 145234988
1-[(3Z)-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-yl]-4-(5-methylhept-6-en-2-yl)cyclohexa-1,3-diene
CID 145103960
5-ethyl-2-methylidene-6-propyldec-3-enenitrile
CID 123299633
(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502

Frequently Asked Questions

What is the IUPAC name of (Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile?
The IUPAC name of (Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile (CID 142297576) is (Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile.
What is the SMILES notation for (Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile?
The canonical SMILES for (Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile is C=C(C#N)/C=C\C(=C)C(C)CCC(C)CC.
What is the InChIKey of (Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile?
The InChIKey is LCKAMOZWEOYCHM-NTMALXAHSA-N. The full InChI is InChI=1S/C15H23N/c1-6-12(2)7-9-14(4)15(5)10-8-13(3)11-16/h8,10,12,14H,3,5-7,9H2,1-2,4H3/b10-8-.
What are the key properties of (Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile?
(Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile has a molecular weight of 217.36 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,9-dimethyl-2,5-dimethylideneundec-3-enenitrile is sourced from PubChem (CID 142297576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).