4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene

C12H18 — CID 12742755

IUPAC4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC(C)C1=CC=CC2CCCC12
InChIInChI=1S/C12H18/c1-9(2)11-7-3-5-10-6-4-8-12(10)11/h3,5,7,9-10,12H,4,6,8H2,1-2H3
InChIKeyBHHLUTJBCGPXTM-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.55
Rot. Bonds1

About 4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene

4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 12742755) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID12742755
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC(C)C1=CC=CC2CCCC12
InChIInChI=1S/C12H18/c1-9(2)11-7-3-5-10-6-4-8-12(10)11/h3,5,7,9-10,12H,4,6,8H2,1-2H3
InChIKeyBHHLUTJBCGPXTM-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene (CID 12742755) is 4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene is CC(C)C1=CC=CC2CCCC12.
What is the InChIKey of 4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is BHHLUTJBCGPXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9(2)11-7-3-5-10-6-4-8-12(10)11/h3,5,7,9-10,12H,4,6,8H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene?
4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 162.28 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 12742755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).