1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene

C14H24 — CID 164990673

IUPAC1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene
SMILESCC1=C(C(C)C)C(C)=C(C(C)C)CC1
InChIInChI=1S/C14H24/c1-9(2)13-8-7-11(5)14(10(3)4)12(13)6/h9-10H,7-8H2,1-6H3
InChIKeyHBWDYGMUEHXZNZ-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds2

About 1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene

1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene (PubChem CID 164990673) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene
PubChem CID164990673
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene
SMILESCC1=C(C(C)C)C(C)=C(C(C)C)CC1
InChIInChI=1S/C14H24/c1-9(2)13-8-7-11(5)14(10(3)4)12(13)6/h9-10H,7-8H2,1-6H3
InChIKeyHBWDYGMUEHXZNZ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene
CID 167536251
2,3-di(propan-2-yl)cyclopent-2-en-1-one
CID 18551295
6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 172586012
4,6-dimethyl-5-propan-2-yl-2,3-dihydropyridine
CID 123661159
3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol
CID 54105253
ethane;1-methyl-2-propan-2-ylcyclopentene
CID 145236747
6-hydroxy-2-methyl-5-propan-2-ylcyclohexa-1,5-diene-1-carboxylic acid
CID 24870714
3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 145369202
3-chloro-1-methyl-2-propan-2-ylcyclohexa-1,3-diene
CID 153352774
2,5-dimethyl-8-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
CID 91747915
CID 100954217
CID 100954217
ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene
CID 176926600

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene (CID 164990673) is 1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene is CC1=C(C(C)C)C(C)=C(C(C)C)CC1.
What is the InChIKey of 1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene?
The InChIKey is HBWDYGMUEHXZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-9(2)13-8-7-11(5)14(10(3)4)12(13)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene?
1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 164990673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).