2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene

C16H20 — CID 150694996

IUPAC2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene
SMILESCCC1=C(c2ccccc2)C(C)(C)CC=C1
InChIInChI=1S/C16H20/c1-4-13-11-8-12-16(2,3)15(13)14-9-6-5-7-10-14/h5-11H,4,12H2,1-3H3
InChIKeyJKQVHPLPWYISLZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.84
Rot. Bonds2

About 2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene

2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene (PubChem CID 150694996) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene
PubChem CID150694996
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene
SMILESCCC1=C(c2ccccc2)C(C)(C)CC=C1
InChIInChI=1S/C16H20/c1-4-13-11-8-12-16(2,3)15(13)14-9-6-5-7-10-14/h5-11H,4,12H2,1-3H3
InChIKeyJKQVHPLPWYISLZ-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 150890312
3-ethyl-5,5-dimethyl-4-phenylcyclohexa-1,3-dien-1-amine
CID 159393837
(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599
6-bromo-2,6-dimethyl-1-phenylcyclohexa-1,3-diene
CID 175201885
2-[2-(2,3,3-trimethylcyclohexa-1,5-dien-1-yl)ethyl]aniline
CID 126498953
6,6-dimethyl-7-phenyl-5H-1,3-benzodioxole
CID 154016190
(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 59224827
N-(2-ethyl-3,3-dimethylcyclohexa-1,5-dien-1-yl)methanimine
CID 167268300
(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
CID 12584652
azane;1,1'-biphenyl;butane
CID 155168826
1,1'-biphenyl;methanol;propane
CID 91033003
(3aR,6aR)-3a,6a-dimethyl-3,6-diphenyl-1,4-dihydropentalene
CID 11837589

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene?
The IUPAC name of 2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene (CID 150694996) is 2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene?
The canonical SMILES for 2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene is CCC1=C(c2ccccc2)C(C)(C)CC=C1.
What is the InChIKey of 2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene?
The InChIKey is JKQVHPLPWYISLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-4-13-11-8-12-16(2,3)15(13)14-9-6-5-7-10-14/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene?
2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene has a molecular weight of 212.34 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,6-dimethyl-1-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 150694996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).