1,2,3-trimethyl-1,2,3,4-tetrahydropentalene

C11H16 — CID 140983961

IUPAC1,2,3-trimethyl-1,2,3,4-tetrahydropentalene
SMILESCC1C2=C(CC=C2)C(C)C1C
InChIInChI=1S/C11H16/c1-7-8(2)10-5-4-6-11(10)9(7)3/h4-5,7-9H,6H2,1-3H3
InChIKeyMJEWQYOSCSWTNY-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.16
Rot. Bonds

About 1,2,3-trimethyl-1,2,3,4-tetrahydropentalene

1,2,3-trimethyl-1,2,3,4-tetrahydropentalene (PubChem CID 140983961) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1,2,3-trimethyl-1,2,3,4-tetrahydropentalene.

Molecular Properties

Compound Name1,2,3-trimethyl-1,2,3,4-tetrahydropentalene
PubChem CID140983961
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1,2,3-trimethyl-1,2,3,4-tetrahydropentalene
SMILESCC1C2=C(CC=C2)C(C)C1C
InChIInChI=1S/C11H16/c1-7-8(2)10-5-4-6-11(10)9(7)3/h4-5,7-9H,6H2,1-3H3
InChIKeyMJEWQYOSCSWTNY-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-7-methyl-2,3,3a,4,7,7a-hexahydro-1H-cyclopenta[a]pentalene
CID 141396802
(3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole
CID 137316250
1,4-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]pyridine
CID 58449484
3-tert-butyl-1,3-dimethyl-2,6-dihydro-1H-pentalene
CID 141396806
diphosphanyl-[(4S,5S)-4-methyl-4,5,6,7-tetrahydro-3H-inden-5-yl]-phosphanylphosphane
CID 58622787
diphosphanyl-(4-methyl-4,5,6,7-tetrahydro-3H-inden-5-yl)-phosphanylphosphane
CID 59020015
1,3a,4,10c-tetrahydrofluoranthene;ethane
CID 123404833
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
1-tert-butyl-1,6-dihydropentalene
CID 154612088
5,6-dimethylcyclohex-2-ene-1,4-dione
CID 130037029
4-methoxy-4,5-dihydro-1H-indene
CID 123762161

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1,2,3,4-tetrahydropentalene?
The IUPAC name of 1,2,3-trimethyl-1,2,3,4-tetrahydropentalene (CID 140983961) is 1,2,3-trimethyl-1,2,3,4-tetrahydropentalene.
What is the SMILES notation for 1,2,3-trimethyl-1,2,3,4-tetrahydropentalene?
The canonical SMILES for 1,2,3-trimethyl-1,2,3,4-tetrahydropentalene is CC1C2=C(CC=C2)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-1,2,3,4-tetrahydropentalene?
The InChIKey is MJEWQYOSCSWTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-7-8(2)10-5-4-6-11(10)9(7)3/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-1,2,3,4-tetrahydropentalene?
1,2,3-trimethyl-1,2,3,4-tetrahydropentalene has a molecular weight of 148.25 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1,2,3,4-tetrahydropentalene is sourced from PubChem (CID 140983961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).