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

C10H15N — CID 6441547

IUPAC(3E)-3,7-dimethylocta-3,7-dienenitrile
SMILESC=C(C)CC/C=C(\C)CC#N
InChIInChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h6H,1,4-5,7H2,2-3H3/b10-6+
InChIKeyHXWCEYZTTHUVCC-UXBLZVDNSA-N
MW149.24 g/mol
LogP3.20
Rot. Bonds4

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

(3E)-3,7-dimethylocta-3,7-dienenitrile (PubChem CID 6441547) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3E)-3,7-dimethylocta-3,7-dienenitrile.

Molecular Properties

Compound Name(3E)-3,7-dimethylocta-3,7-dienenitrile
PubChem CID6441547
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3E)-3,7-dimethylocta-3,7-dienenitrile
SMILESC=C(C)CC/C=C(\C)CC#N
InChIInChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h6H,1,4-5,7H2,2-3H3/b10-6+
InChIKeyHXWCEYZTTHUVCC-UXBLZVDNSA-N
XLogP3.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

2,6-dimethylocta-1,5-diene
CID 54025904
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
(3E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E,27E)-3,7,11,15,20,24,28,32-octamethyltritriaconta-3,7,9,11,13,15,17,19,21,23,25,27,31-tridecaenenitrile
CID 175971518
(2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol
CID 100952257
(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene
CID 145317472
4,8-dimethyldeca-3,7-dienenitrile
CID 167623930
(5E)-2,6,7,7-tetramethylocta-1,5-diene
CID 144537468
(4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile
CID 165348510
N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine
CID 134365006
ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
2-cyano-N-(3-methylbut-3-enyl)acetamide
CID 131228033
(4E)-4,8-dimethylnona-4,8-dien-3-one
CID 20501743

Frequently Asked Questions

What is the IUPAC name of (3E)-3,7-dimethylocta-3,7-dienenitrile?
The IUPAC name of (3E)-3,7-dimethylocta-3,7-dienenitrile (CID 6441547) is (3E)-3,7-dimethylocta-3,7-dienenitrile.
What is the SMILES notation for (3E)-3,7-dimethylocta-3,7-dienenitrile?
The canonical SMILES for (3E)-3,7-dimethylocta-3,7-dienenitrile is C=C(C)CC/C=C(\C)CC#N.
What is the InChIKey of (3E)-3,7-dimethylocta-3,7-dienenitrile?
The InChIKey is HXWCEYZTTHUVCC-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h6H,1,4-5,7H2,2-3H3/b10-6+.
What are the key properties of (3E)-3,7-dimethylocta-3,7-dienenitrile?
(3E)-3,7-dimethylocta-3,7-dienenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3,7-dimethylocta-3,7-dienenitrile is sourced from PubChem (CID 6441547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).