3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene

C14H22 — CID 141396806

IUPAC3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene
SMILESCC1CC(C)(C(C)(C)C)C2=C1CC=C2
InChIInChI=1S/C14H22/c1-10-9-14(5,13(2,3)4)12-8-6-7-11(10)12/h6,8,10H,7,9H2,1-5H3
InChIKeyDAOSSFJHZPKBGI-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds

About 3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene

3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene (PubChem CID 141396806) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene.

Molecular Properties

Compound Name3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene
PubChem CID141396806
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene
SMILESCC1CC(C)(C(C)(C)C)C2=C1CC=C2
InChIInChI=1S/C14H22/c1-10-9-14(5,13(2,3)4)12-8-6-7-11(10)12/h6,8,10H,7,9H2,1-5H3
InChIKeyDAOSSFJHZPKBGI-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane
CID 153317964
1-tert-butyl-1,6-dihydropentalene
CID 154612088
1,2,3-trimethyl-1,2,3,4-tetrahydropentalene
CID 140983961
1-tert-butyl-7-methyl-2,3,3a,4,7,7a-hexahydro-1H-cyclopenta[a]pentalene
CID 141396802
1,4-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]pyridine
CID 58449484
cis-(2R,6S)-4-hydroxy-2,4,6-trimethylcyclohexan-1-one
CID 91620799
1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene
CID 144712629
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol
CID 19936951
CID 173322329
CID 173322329
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol;zirconium
CID 19936950
(3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole
CID 137316250
(2S)-2-tert-butyl-2-methylcyclopentan-1-one
CID 58159062

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene?
The IUPAC name of 3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene (CID 141396806) is 3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene.
What is the SMILES notation for 3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene?
The canonical SMILES for 3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene is CC1CC(C)(C(C)(C)C)C2=C1CC=C2.
What is the InChIKey of 3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene?
The InChIKey is DAOSSFJHZPKBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-10-9-14(5,13(2,3)4)12-8-6-7-11(10)12/h6,8,10H,7,9H2,1-5H3.
What are the key properties of 3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene?
3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene is sourced from PubChem (CID 141396806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).