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

C18H24 — CID 140970912

IUPAC1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene
SMILESCCC1(CC)CC2CC=CC=C2C1C1C=CC=C1
InChIInChI=1S/C18H24/c1-3-18(4-2)13-15-11-7-8-12-16(15)17(18)14-9-5-6-10-14/h5-10,12,14-15,17H,3-4,11,13H2,1-2H3
InChIKeyYUEVVDMCPDFSRN-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.06
Rot. Bonds3

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

1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene (PubChem CID 140970912) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene
PubChem CID140970912
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene
SMILESCCC1(CC)CC2CC=CC=C2C1C1C=CC=C1
InChIInChI=1S/C18H24/c1-3-18(4-2)13-15-11-7-8-12-16(15)17(18)14-9-5-6-10-14/h5-10,12,14-15,17H,3-4,11,13H2,1-2H3
InChIKeyYUEVVDMCPDFSRN-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-2,4-dien-1-yl-2,2-dimethyl-1,3,3a,4-tetrahydroindene
CID 140970894
1-cyclopenta-2,4-dien-1-yl-2-methyl-2,3,3a,4-tetrahydro-1H-indene
CID 140970870
1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride
CID 172863415
2,3,3a,4-tetrahydro-1H-inden-1-yl(dimethyl)silane
CID 150074036
(2-methyl-2,3,3a,4-tetrahydro-1H-inden-1-yl)-triphenylsilane
CID 140588324
iodoethane;2-methyl-2,3,3a,4-tetrahydro-1,3-benzothiazole
CID 157143582
6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244
1,2,3,4,4a,5-hexahydronaphthalen-1-ol
CID 91026557
1,2,3,4,4a,5-hexahydronaphthalen-1-amine
CID 139821666
ethyl 3,4,4a,5-tetrahydro-2H-quinoline-1-carboxylate
CID 140970250
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-1-ol
CID 141374768

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene (CID 140970912) is 1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene is CCC1(CC)CC2CC=CC=C2C1C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene?
The InChIKey is YUEVVDMCPDFSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-3-18(4-2)13-15-11-7-8-12-16(15)17(18)14-9-5-6-10-14/h5-10,12,14-15,17H,3-4,11,13H2,1-2H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene?
1-cyclopenta-2,4-dien-1-yl-2,2-diethyl-1,3,3a,4-tetrahydroindene has a molecular weight of 240.39 g/mol, XLogP of 5.06, 3 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-diethyl-1,3,3a,4-tetrahydroindene is sourced from PubChem (CID 140970912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).