1,7-diethyl-1H-indene

C13H16 — CID 139796128

IUPAC1,7-diethyl-1H-indene
SMILESCCc1cccc2c1C(CC)C=C2
InChIInChI=1S/C13H16/c1-3-10-6-5-7-12-9-8-11(4-2)13(10)12/h5-9,11H,3-4H2,1-2H3
InChIKeyGGHVKOMJKYIKAM-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.77
Rot. Bonds2

About 1,7-diethyl-1H-indene

1,7-diethyl-1H-indene (PubChem CID 139796128) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,7-diethyl-1H-indene.

Molecular Properties

Compound Name1,7-diethyl-1H-indene
PubChem CID139796128
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1,7-diethyl-1H-indene
SMILESCCc1cccc2c1C(CC)C=C2
InChIInChI=1S/C13H16/c1-3-10-6-5-7-12-9-8-11(4-2)13(10)12/h5-9,11H,3-4H2,1-2H3
InChIKeyGGHVKOMJKYIKAM-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene
CID 22482576
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Frequently Asked Questions

What is the IUPAC name of 1,7-diethyl-1H-indene?
The IUPAC name of 1,7-diethyl-1H-indene (CID 139796128) is 1,7-diethyl-1H-indene.
What is the SMILES notation for 1,7-diethyl-1H-indene?
The canonical SMILES for 1,7-diethyl-1H-indene is CCc1cccc2c1C(CC)C=C2.
What is the InChIKey of 1,7-diethyl-1H-indene?
The InChIKey is GGHVKOMJKYIKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-3-10-6-5-7-12-9-8-11(4-2)13(10)12/h5-9,11H,3-4H2,1-2H3.
What are the key properties of 1,7-diethyl-1H-indene?
1,7-diethyl-1H-indene has a molecular weight of 172.27 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diethyl-1H-indene is sourced from PubChem (CID 139796128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).