4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene

C13H18 — CID 101316504

IUPAC4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene
SMILESCC(C)C1=CCCC2C=CC=CC12
InChIInChI=1S/C13H18/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-4,6,8-11,13H,5,7H2,1-2H3
InChIKeyNDBAYBXGAWKYOV-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.72
Rot. Bonds1

About 4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene

4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene (PubChem CID 101316504) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene
PubChem CID101316504
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene
SMILESCC(C)C1=CCCC2C=CC=CC12
InChIInChI=1S/C13H18/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-4,6,8-11,13H,5,7H2,1-2H3
InChIKeyNDBAYBXGAWKYOV-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene?
The IUPAC name of 4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene (CID 101316504) is 4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene.
What is the SMILES notation for 4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene?
The canonical SMILES for 4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene is CC(C)C1=CCCC2C=CC=CC12.
What is the InChIKey of 4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene?
The InChIKey is NDBAYBXGAWKYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-4,6,8-11,13H,5,7H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene?
4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene has a molecular weight of 174.29 g/mol, XLogP of 3.72, 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-1,2,4a,8a-tetrahydronaphthalene is sourced from PubChem (CID 101316504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).