2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene

C14H24 — CID 153335086

IUPAC2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
SMILESCCC1=C(C(C)C)CCC=C1C(C)C
InChIInChI=1S/C14H24/c1-6-12-13(10(2)3)8-7-9-14(12)11(4)5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyPWMZPURHUMHVOT-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds3

About 2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene

2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene (PubChem CID 153335086) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
PubChem CID153335086
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
SMILESCCC1=C(C(C)C)CCC=C1C(C)C
InChIInChI=1S/C14H24/c1-6-12-13(10(2)3)8-7-9-14(12)11(4)5/h8,10-11H,6-7,9H2,1-5H3
InChIKeyPWMZPURHUMHVOT-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 70666053
[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite
CID 146622902
CID 171636424
CID 171636424
2-butyl-1,3-di(propan-2-yl)cyclopenta-1,3-diene
CID 139667593
8-ethyl-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene
CID 171828637
2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene
CID 145375515
3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 145369202
8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
CID 101316624
1-(2-methylbutyl)cyclobutene
CID 123668229
1-pentan-2-ylcyclobutene
CID 123526137
(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine
CID 146366991
4-propan-2-yl-1,2,5,8-tetrahydronaphthalene
CID 101316499

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene (CID 153335086) is 2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene is CCC1=C(C(C)C)CCC=C1C(C)C.
What is the InChIKey of 2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene?
The InChIKey is PWMZPURHUMHVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-6-12-13(10(2)3)8-7-9-14(12)11(4)5/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of 2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene?
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 153335086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).