1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene

C15H26 — CID 123737639

IUPAC1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CC=C(C(C)(C)C(C)C)CC1
InChIInChI=1S/C15H26/c1-11(2)13-7-9-14(10-8-13)15(5,6)12(3)4/h7,9,11-12H,8,10H2,1-6H3
InChIKeySFOULIAJQJAYLR-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.97
Rot. Bonds3

About 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene

1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene (PubChem CID 123737639) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene
PubChem CID123737639
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CC=C(C(C)(C)C(C)C)CC1
InChIInChI=1S/C15H26/c1-11(2)13-7-9-14(10-8-13)15(5,6)12(3)4/h7,9,11-12H,8,10H2,1-6H3
InChIKeySFOULIAJQJAYLR-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-4-tert-butylcyclohexa-1,3-diene
CID 143023152
1-(difluoromethoxy)-4-propan-2-ylcyclohexa-1,3-diene
CID 163393623
acetyl 4-propan-2-ylcyclohexa-1,3-diene-1-carboxylate
CID 23079627
1-ethyl-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)benzene
CID 142940805
5-methyl-1,4-di(propan-2-yl)cyclohexa-1,3-diene
CID 143629883
(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine
CID 146366991
1-tert-butyl-4-(4-tert-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 91433632
1-propan-2-ylcyclohepta-1,3-diene
CID 20800715
4-chloro-5-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 175631703
2-(4-tert-butylcyclohexa-1,3-dien-1-yl)propane-2-thiol
CID 91006508
4,5-difluoro-1-propan-2-ylcyclohexa-1,3-diene
CID 166850843
3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-3,5,9-trien-1-one
CID 72739214

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene (CID 123737639) is 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene is CC(C)C1=CC=C(C(C)(C)C(C)C)CC1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is SFOULIAJQJAYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-11(2)13-7-9-14(10-8-13)15(5,6)12(3)4/h7,9,11-12H,8,10H2,1-6H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene?
1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 206.37 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 123737639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).