3,4,4,5-tetramethylhex-5-enenitrile

C10H17N — CID 142049934

IUPAC3,4,4,5-tetramethylhex-5-enenitrile
SMILESC=C(C)C(C)(C)C(C)CC#N
InChIInChI=1S/C10H17N/c1-8(2)10(4,5)9(3)6-7-11/h9H,1,6H2,2-5H3
InChIKeyDCERHKUURISITI-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.14
Rot. Bonds3

About 3,4,4,5-tetramethylhex-5-enenitrile

3,4,4,5-tetramethylhex-5-enenitrile (PubChem CID 142049934) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,4,4,5-tetramethylhex-5-enenitrile.

Molecular Properties

Compound Name3,4,4,5-tetramethylhex-5-enenitrile
PubChem CID142049934
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,4,4,5-tetramethylhex-5-enenitrile
SMILESC=C(C)C(C)(C)C(C)CC#N
InChIInChI=1S/C10H17N/c1-8(2)10(4,5)9(3)6-7-11/h9H,1,6H2,2-5H3
InChIKeyDCERHKUURISITI-UHFFFAOYSA-N
XLogP3.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.14
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

4,4,4-trifluoro-3-methylbutanenitrile
CID 83681754
(3R)-3-(prop-1-en-2-ylamino)butanenitrile
CID 177367987
2,2,4-trimethylhexanedinitrile
CID 59281697
2-tert-butylbutanedinitrile
CID 12656168
(3S)-3-hydroxy-4,4-dimethylpentanenitrile
CID 93234122
(3S)-5-bromo-3-methylhex-5-enenitrile
CID 11063158
3-amino-4,4-dimethylpentanenitrile;hydrochloride
CID 87235043
3-(1-cyanopropan-2-ylsulfanyl)butanenitrile
CID 131859837
4,4,6-trimethylhept-6-enenitrile
CID 163774167
4-hydroxy-4,6-dimethylheptanenitrile
CID 14900500
N-(1-cyanopropan-2-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429996
(3S)-3-methylhex-5-enenitrile
CID 139905657

Frequently Asked Questions

What is the IUPAC name of 3,4,4,5-tetramethylhex-5-enenitrile?
The IUPAC name of 3,4,4,5-tetramethylhex-5-enenitrile (CID 142049934) is 3,4,4,5-tetramethylhex-5-enenitrile.
What is the SMILES notation for 3,4,4,5-tetramethylhex-5-enenitrile?
The canonical SMILES for 3,4,4,5-tetramethylhex-5-enenitrile is C=C(C)C(C)(C)C(C)CC#N.
What is the InChIKey of 3,4,4,5-tetramethylhex-5-enenitrile?
The InChIKey is DCERHKUURISITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10(4,5)9(3)6-7-11/h9H,1,6H2,2-5H3.
What are the key properties of 3,4,4,5-tetramethylhex-5-enenitrile?
3,4,4,5-tetramethylhex-5-enenitrile has a molecular weight of 151.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5-tetramethylhex-5-enenitrile is sourced from PubChem (CID 142049934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).