2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene

C15H24 — CID 91261352

IUPAC2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESCCCCC1=C(C)C2=C(CCCC2)C1C
InChIInChI=1S/C15H24/c1-4-5-8-13-11(2)14-9-6-7-10-15(14)12(13)3/h11H,4-10H2,1-3H3
InChIKeyFOOSWXKKHZZZKS-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.01
Rot. Bonds3

About 2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene

2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene (PubChem CID 91261352) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene
PubChem CID91261352
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESCCCCC1=C(C)C2=C(CCCC2)C1C
InChIInChI=1S/C15H24/c1-4-5-8-13-11(2)14-9-6-7-10-15(14)12(13)3/h11H,4-10H2,1-3H3
InChIKeyFOOSWXKKHZZZKS-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of 2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene (CID 91261352) is 2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for 2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for 2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene is CCCCC1=C(C)C2=C(CCCC2)C1C.
What is the InChIKey of 2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is FOOSWXKKHZZZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-4-5-8-13-11(2)14-9-6-7-10-15(14)12(13)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene?
2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene has a molecular weight of 204.36 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dimethyl-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 91261352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).