(Z)-12-methyltridec-3-enenitrile

C14H25N — CID 139591506

IUPAC(Z)-12-methyltridec-3-enenitrile
SMILESCC(C)CCCCCCC/C=C\CC#N
InChIInChI=1S/C14H25N/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h7,9,14H,3-6,8,10-12H2,1-2H3/b9-7-
InChIKeyRKWOPJGPDIRMKB-CLFYSBASSA-N
MW207.36 g/mol
LogP4.84
Rot. Bonds9

About (Z)-12-methyltridec-3-enenitrile

(Z)-12-methyltridec-3-enenitrile (PubChem CID 139591506) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (Z)-12-methyltridec-3-enenitrile.

Molecular Properties

Compound Name(Z)-12-methyltridec-3-enenitrile
PubChem CID139591506
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(Z)-12-methyltridec-3-enenitrile
SMILESCC(C)CCCCCCC/C=C\CC#N
InChIInChI=1S/C14H25N/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h7,9,14H,3-6,8,10-12H2,1-2H3/b9-7-
InChIKeyRKWOPJGPDIRMKB-CLFYSBASSA-N
XLogP4.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-12-methyltetradec-3-enenitrile
CID 139591509
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(E)-2,12-dimethyltridec-6-ene
CID 176630963
18-methylnonadec-2-enenitrile
CID 90170029
(Z)-pentadec-3-enenitrile
CID 139591512
(E)-2,11-dimethyldodec-5-ene
CID 168834978
(E)-2-methylheptadec-7-ene
CID 173124832

Frequently Asked Questions

What is the IUPAC name of (Z)-12-methyltridec-3-enenitrile?
The IUPAC name of (Z)-12-methyltridec-3-enenitrile (CID 139591506) is (Z)-12-methyltridec-3-enenitrile.
What is the SMILES notation for (Z)-12-methyltridec-3-enenitrile?
The canonical SMILES for (Z)-12-methyltridec-3-enenitrile is CC(C)CCCCCCC/C=C\CC#N.
What is the InChIKey of (Z)-12-methyltridec-3-enenitrile?
The InChIKey is RKWOPJGPDIRMKB-CLFYSBASSA-N. The full InChI is InChI=1S/C14H25N/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h7,9,14H,3-6,8,10-12H2,1-2H3/b9-7-.
What are the key properties of (Z)-12-methyltridec-3-enenitrile?
(Z)-12-methyltridec-3-enenitrile has a molecular weight of 207.36 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-methyltridec-3-enenitrile is sourced from PubChem (CID 139591506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).