(3E)-3,7-dimethylocta-3,6-dienenitrile

C10H15N — CID 6438053

IUPAC(3E)-3,7-dimethylocta-3,6-dienenitrile
SMILESCC(C)=CC/C=C(\C)CC#N
InChIInChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5-6H,4,7H2,1-3H3/b10-6+
InChIKeyLNWFHUTYUOYNBG-UXBLZVDNSA-N
MW149.24 g/mol
LogP3.20
Rot. Bonds3

About (3E)-3,7-dimethylocta-3,6-dienenitrile

(3E)-3,7-dimethylocta-3,6-dienenitrile (PubChem CID 6438053) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3E)-3,7-dimethylocta-3,6-dienenitrile.

Molecular Properties

Compound Name(3E)-3,7-dimethylocta-3,6-dienenitrile
PubChem CID6438053
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3E)-3,7-dimethylocta-3,6-dienenitrile
SMILESCC(C)=CC/C=C(\C)CC#N
InChIInChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5-6H,4,7H2,1-3H3/b10-6+
InChIKeyLNWFHUTYUOYNBG-UXBLZVDNSA-N
XLogP3.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-2-Methyl-2-pentenenitrile
CID 5352201
4-Hexenenitrile, 2-ethenyl-2,5-dimethyl-
CID 3024858
3,7-Nonadienenitrile, 4,8-dimethyl-
CID 111177
6-Octenenitrile, 7-methyl-3-methylene-
CID 117793
2-Pentenenitrile, 2-methyl-, (2Z)-
CID 5352199
3,6-Octadienenitrile, 3,7-dimethyl-, (3Z)-
CID 6438054
(E)-2,4,4-trimethylpent-2-enenitrile
CID 15568612
6-Methylhept-5-enenitrile
CID 71374468
2,6-Dimethyl-5-heptenenitrile
CID 103874
3,7-Nonadienenitrile, 3,7,8-trimethyl-
CID 106214
Heptenenitrile, 3,6-dimethyl-
CID 116743
2-Ethylbut-2-enenitrile
CID 53755012

Frequently Asked Questions

What is the IUPAC name of (3E)-3,7-dimethylocta-3,6-dienenitrile?
The IUPAC name of (3E)-3,7-dimethylocta-3,6-dienenitrile (CID 6438053) is (3E)-3,7-dimethylocta-3,6-dienenitrile.
What is the SMILES notation for (3E)-3,7-dimethylocta-3,6-dienenitrile?
The canonical SMILES for (3E)-3,7-dimethylocta-3,6-dienenitrile is CC(C)=CC/C=C(\C)CC#N.
What is the InChIKey of (3E)-3,7-dimethylocta-3,6-dienenitrile?
The InChIKey is LNWFHUTYUOYNBG-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5-6H,4,7H2,1-3H3/b10-6+.
What are the key properties of (3E)-3,7-dimethylocta-3,6-dienenitrile?
(3E)-3,7-dimethylocta-3,6-dienenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3,7-dimethylocta-3,6-dienenitrile is sourced from PubChem (CID 6438053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).