2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile

C14H17NO — CID 82078660

IUPAC2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile
SMILESCc1cc(C)c2c(c1)C(C#N)CC(C)(C)O2
InChIInChI=1S/C14H17NO/c1-9-5-10(2)13-12(6-9)11(8-15)7-14(3,4)16-13/h5-6,11H,7H2,1-4H3
InChIKeyVDQHUTNXOXMBMR-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.47
Rot. Bonds

About 2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile

2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile (PubChem CID 82078660) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile.

Molecular Properties

Compound Name2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile
PubChem CID82078660
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile
SMILESCc1cc(C)c2c(c1)C(C#N)CC(C)(C)O2
InChIInChI=1S/C14H17NO/c1-9-5-10(2)13-12(6-9)11(8-15)7-14(3,4)16-13/h5-6,11H,7H2,1-4H3
InChIKeyVDQHUTNXOXMBMR-UHFFFAOYSA-N
XLogP3.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2,2-dimethyl-3,4-dihydrochromene-4-carbonitrile
CID 162342582
8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
CID 64696649
6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-carbonitrile
CID 82081162
1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
CID 116841989
6-tert-butyl-N-methoxy-2,2,8-trimethyl-3,4-dihydrochromen-4-amine
CID 81482096
8-tert-butyl-N-ethyl-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
CID 64696430
2,2,4,4,6-pentamethyl-3H-chromene-8-carbonitrile
CID 59113730
1-(2,4-dimethylphenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133155099
4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile
CID 13059695
8-methoxy-2,2,6-trimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64696641
2,2-diethyl-6,8-dimethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462506
2,2,6,8-tetramethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82188332

Frequently Asked Questions

What is the IUPAC name of 2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile?
The IUPAC name of 2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile (CID 82078660) is 2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile.
What is the SMILES notation for 2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile?
The canonical SMILES for 2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile is Cc1cc(C)c2c(c1)C(C#N)CC(C)(C)O2.
What is the InChIKey of 2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile?
The InChIKey is VDQHUTNXOXMBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-5-10(2)13-12(6-9)11(8-15)7-14(3,4)16-13/h5-6,11H,7H2,1-4H3.
What are the key properties of 2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile?
2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,8-tetramethyl-3,4-dihydrochromene-4-carbonitrile is sourced from PubChem (CID 82078660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).