6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene

C14H24 — CID 123196289

IUPAC6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene
SMILESCCCCC1C(C)=C(C)C(C)=CC1C
InChIInChI=1S/C14H24/c1-6-7-8-14-11(3)9-10(2)12(4)13(14)5/h9,11,14H,6-8H2,1-5H3
InChIKeyOEACHOUGUGDILH-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds3

About 6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene

6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene (PubChem CID 123196289) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene
PubChem CID123196289
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene
SMILESCCCCC1C(C)=C(C)C(C)=CC1C
InChIInChI=1S/C14H24/c1-6-7-8-14-11(3)9-10(2)12(4)13(14)5/h9,11,14H,6-8H2,1-5H3
InChIKeyOEACHOUGUGDILH-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

6-ethyl-1,2,3,5-tetramethylcyclohexa-1,3-diene
CID 123748890
2,3,4,6-tetramethylcyclohexa-2,4-dien-1-amine
CID 155311440
ethane;propane;2,3,5,6-tetramethylcyclohexa-1,3-diene
CID 144517632
4-butyl-1,3-dimethylcyclohexene;methanol
CID 20561551
1-(5-butylnonan-5-yl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 175936789
(2S,3S)-2-butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090580
3,6-dibutylcyclohexa-1,4-diene
CID 90992302
2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one
CID 12627284
3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane
CID 144937454
3-butylbicyclo[2.1.1]hex-1(5)-ene
CID 163677365
1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene
CID 10798169
5-butyl-3-methylbicyclo[4.1.0]hept-2-ene
CID 163599427

Frequently Asked Questions

What is the IUPAC name of 6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene?
The IUPAC name of 6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene (CID 123196289) is 6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene.
What is the SMILES notation for 6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene?
The canonical SMILES for 6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene is CCCCC1C(C)=C(C)C(C)=CC1C.
What is the InChIKey of 6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene?
The InChIKey is OEACHOUGUGDILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-6-7-8-14-11(3)9-10(2)12(4)13(14)5/h9,11,14H,6-8H2,1-5H3.
What are the key properties of 6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene?
6-butyl-1,2,3,5-tetramethylcyclohexa-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 6-butyl-1,2,3,5-tetramethylcyclohexa-1,3-diene is sourced from PubChem (CID 123196289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).