3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene

C16H26 — CID 176703845

IUPAC3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene
SMILESCCC1=CCCC2=C1CCC2(CC)C(C)C
InChIInChI=1S/C16H26/c1-5-13-8-7-9-15-14(13)10-11-16(15,6-2)12(3)4/h8,12H,5-7,9-11H2,1-4H3
InChIKeyROLRCLBWBGXVMR-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.26
Rot. Bonds3

About 3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene

3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene (PubChem CID 176703845) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene.

Molecular Properties

Compound Name3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene
PubChem CID176703845
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene
SMILESCCC1=CCCC2=C1CCC2(CC)C(C)C
InChIInChI=1S/C16H26/c1-5-13-8-7-9-15-14(13)10-11-16(15,6-2)12(3)4/h8,12H,5-7,9-11H2,1-4H3
InChIKeyROLRCLBWBGXVMR-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-2-propan-2-ylcyclobutan-1-one
CID 134922592
3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
CID 174154365
(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 146230442
4-ethyl-5-(2-methylpropyl)-1,2-dihydronaphthalene
CID 144809018
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 153335086
1,4,4-triethylcyclohexene
CID 143568110
4-ethyl-4-propan-2-ylcyclohexene
CID 23385010
1-propan-2-ylsulfanylcyclobutene
CID 174588641
4-fluoro-3-propan-2-yl-3-propyl-1,2-dihydroindene
CID 169145598
1-pentan-2-ylcyclobutene
CID 123526137
6-ethyl-N-methylcyclohexa-1,5-dien-1-amine
CID 143115354
1-(2-methylbutyl)cyclobutene
CID 123668229

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene?
The IUPAC name of 3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene (CID 176703845) is 3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene.
What is the SMILES notation for 3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene?
The canonical SMILES for 3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene is CCC1=CCCC2=C1CCC2(CC)C(C)C.
What is the InChIKey of 3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene?
The InChIKey is ROLRCLBWBGXVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-5-13-8-7-9-15-14(13)10-11-16(15,6-2)12(3)4/h8,12H,5-7,9-11H2,1-4H3.
What are the key properties of 3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene?
3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene has a molecular weight of 218.38 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-3-propan-2-yl-1,2,4,5-tetrahydroindene is sourced from PubChem (CID 176703845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).