(4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene

C12H18 — CID 163830922

IUPAC(4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene
SMILESCC(C)[C@@H]1CCCC2=C1C=CC2
InChIInChI=1S/C12H18/c1-9(2)11-7-3-5-10-6-4-8-12(10)11/h4,8-9,11H,3,5-7H2,1-2H3/t11-/m0/s1
InChIKeyWDZSWXILBZQLEM-NSHDSACASA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds1

About (4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene

(4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene (PubChem CID 163830922) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene
PubChem CID163830922
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene
SMILESCC(C)[C@@H]1CCCC2=C1C=CC2
InChIInChI=1S/C12H18/c1-9(2)11-7-3-5-10-6-4-8-12(10)11/h4,8-9,11H,3,5-7H2,1-2H3/t11-/m0/s1
InChIKeyWDZSWXILBZQLEM-NSHDSACASA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of (4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene (CID 163830922) is (4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for (4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for (4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene is CC(C)[C@@H]1CCCC2=C1C=CC2.
What is the InChIKey of (4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is WDZSWXILBZQLEM-NSHDSACASA-N. The full InChI is InChI=1S/C12H18/c1-9(2)11-7-3-5-10-6-4-8-12(10)11/h4,8-9,11H,3,5-7H2,1-2H3/t11-/m0/s1.
What are the key properties of (4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene?
(4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene has a molecular weight of 162.28 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 163830922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).