(E,2Z)-2-butylidenedec-3-enenitrile

C14H23N — CID 15893203

IUPAC(E,2Z)-2-butylidenedec-3-enenitrile
SMILESCCC/C=C(C#N)/C=C/CCCCCC
InChIInChI=1S/C14H23N/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h10-12H,3-9H2,1-2H3/b12-10+,14-11-
InChIKeyTZDSNJPNAQIGNN-MQZPGMTCSA-N
MW205.34 g/mol
LogP4.76
Rot. Bonds8

About (E,2Z)-2-butylidenedec-3-enenitrile

(E,2Z)-2-butylidenedec-3-enenitrile (PubChem CID 15893203) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (E,2Z)-2-butylidenedec-3-enenitrile.

Molecular Properties

Compound Name(E,2Z)-2-butylidenedec-3-enenitrile
PubChem CID15893203
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(E,2Z)-2-butylidenedec-3-enenitrile
SMILESCCC/C=C(C#N)/C=C/CCCCCC
InChIInChI=1S/C14H23N/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h10-12H,3-9H2,1-2H3/b12-10+,14-11-
InChIKeyTZDSNJPNAQIGNN-MQZPGMTCSA-N
XLogP4.76
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyltetradeca-4,6-diene
CID 91339198
(9E,11E,12E,13E)-11,12-di(nonylidene)docosa-9,13-diene
CID 140635573
2-methylicos-2-enenitrile
CID 175504471
(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
henicosa-4,14-diene
CID 91309991
(E)-undec-2-enenitrile
CID 6538104
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710

Frequently Asked Questions

What is the IUPAC name of (E,2Z)-2-butylidenedec-3-enenitrile?
The IUPAC name of (E,2Z)-2-butylidenedec-3-enenitrile (CID 15893203) is (E,2Z)-2-butylidenedec-3-enenitrile.
What is the SMILES notation for (E,2Z)-2-butylidenedec-3-enenitrile?
The canonical SMILES for (E,2Z)-2-butylidenedec-3-enenitrile is CCC/C=C(C#N)/C=C/CCCCCC.
What is the InChIKey of (E,2Z)-2-butylidenedec-3-enenitrile?
The InChIKey is TZDSNJPNAQIGNN-MQZPGMTCSA-N. The full InChI is InChI=1S/C14H23N/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h10-12H,3-9H2,1-2H3/b12-10+,14-11-.
What are the key properties of (E,2Z)-2-butylidenedec-3-enenitrile?
(E,2Z)-2-butylidenedec-3-enenitrile has a molecular weight of 205.34 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-2-butylidenedec-3-enenitrile is sourced from PubChem (CID 15893203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).