(E)-7-methyloct-5-enenitrile

C9H15N — CID 124660499

IUPAC(E)-7-methyloct-5-enenitrile
SMILESCC(C)/C=C/CCCC#N
InChIInChI=1S/C9H15N/c1-9(2)7-5-3-4-6-8-10/h5,7,9H,3-4,6H2,1-2H3/b7-5+
InChIKeyZTBDLNFEKREFCZ-FNORWQNLSA-N
MW137.23 g/mol
LogP2.89
Rot. Bonds4

About (E)-7-methyloct-5-enenitrile

(E)-7-methyloct-5-enenitrile (PubChem CID 124660499) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (E)-7-methyloct-5-enenitrile.

Molecular Properties

Compound Name(E)-7-methyloct-5-enenitrile
PubChem CID124660499
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(E)-7-methyloct-5-enenitrile
SMILESCC(C)/C=C/CCCC#N
InChIInChI=1S/C9H15N/c1-9(2)7-5-3-4-6-8-10/h5,7,9H,3-4,6H2,1-2H3/b7-5+
InChIKeyZTBDLNFEKREFCZ-FNORWQNLSA-N
XLogP2.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.89
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)-tetradec-7-enenitrile
CID 139591503
3,7-Nonadienenitrile, 4,8-dimethyl-
CID 111177
6-Octenenitrile, 7-methyl-3-methylene-
CID 117793
(2e)-1-Cyano-2-heptene
CID 13643072
6-Methylhept-5-enenitrile
CID 71374468
2,6-Dimethyl-5-heptenenitrile
CID 103874
Tetradec-7-enenitrile
CID 54480368
3,7-Nonadienenitrile, 3,7,8-trimethyl-
CID 106214
Heptenenitrile, 3,6-dimethyl-
CID 116743
4,8-Dimethylnona-3,7-dienenitrile
CID 6437614
(Z)-oct-5-enenitrile
CID 15824509
(Z)-2-ethylhex-2-enenitrile
CID 117853578

Frequently Asked Questions

What is the IUPAC name of (E)-7-methyloct-5-enenitrile?
The IUPAC name of (E)-7-methyloct-5-enenitrile (CID 124660499) is (E)-7-methyloct-5-enenitrile.
What is the SMILES notation for (E)-7-methyloct-5-enenitrile?
The canonical SMILES for (E)-7-methyloct-5-enenitrile is CC(C)/C=C/CCCC#N.
What is the InChIKey of (E)-7-methyloct-5-enenitrile?
The InChIKey is ZTBDLNFEKREFCZ-FNORWQNLSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2)7-5-3-4-6-8-10/h5,7,9H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of (E)-7-methyloct-5-enenitrile?
(E)-7-methyloct-5-enenitrile has a molecular weight of 137.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methyloct-5-enenitrile is sourced from PubChem (CID 124660499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).