1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene

C16H20 — CID 140970894

IUPAC1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene
SMILESCC1(C)CC2CC=CC=C2C1C1C=CC=C1
InChIInChI=1S/C16H20/c1-16(2)11-13-9-5-6-10-14(13)15(16)12-7-3-4-8-12/h3-8,10,12-13,15H,9,11H2,1-2H3
InChIKeyKXCCPXVHBWZJCA-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.28
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene

1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene (PubChem CID 140970894) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene
PubChem CID140970894
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene
SMILESCC1(C)CC2CC=CC=C2C1C1C=CC=C1
InChIInChI=1S/C16H20/c1-16(2)11-13-9-5-6-10-14(13)15(16)12-7-3-4-8-12/h3-8,10,12-13,15H,9,11H2,1-2H3
InChIKeyKXCCPXVHBWZJCA-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene
CID 140970912
1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene
CID 140970870
2,3,3a,4-tetrahydro-1H-inden-1-yl(dimethyl)silane
CID 150074036
2,3,3a,4-tetrahydro-1H-indazole
CID 22078070
2-bromo-2-methyl-3,4,4a,5-tetrahydronaphthalen-1-one
CID 170944222
1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride
CID 172863415
1,2,3,4,4a,5-hexahydronaphthalen-1-ol
CID 91026557
1,2,3,4,4a,5-hexahydronaphthalen-1-amine
CID 139821666
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-1-ol
CID 141374768
(3-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)methanamine
CID 58835522
(3aR)-3,3-dimethyl-3a,4-dihydro-2-benzofuran-1-one
CID 162914428
3,3-dimethyl-7,7a-dihydro-2H-inden-1-one
CID 174371674

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene (CID 140970894) is 1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene is CC1(C)CC2CC=CC=C2C1C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene?
The InChIKey is KXCCPXVHBWZJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-16(2)11-13-9-5-6-10-14(13)15(16)12-7-3-4-8-12/h3-8,10,12-13,15H,9,11H2,1-2H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene?
1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene has a molecular weight of 212.34 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene is sourced from PubChem (CID 140970894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).