1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene

C13H18 — CID 101316569

IUPAC1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
SMILESCC(C)C1CC=CC2=CCC=CC21
InChIInChI=1S/C13H18/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h4-8,10,12-13H,3,9H2,1-2H3
InChIKeyJSPULKZYKGQLON-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.72
Rot. Bonds1

About 1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene

1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene (PubChem CID 101316569) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
PubChem CID101316569
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
SMILESCC(C)C1CC=CC2=CCC=CC21
InChIInChI=1S/C13H18/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h4-8,10,12-13H,3,9H2,1-2H3
InChIKeyJSPULKZYKGQLON-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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Related Compounds

1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene
CID 101316522
1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
CID 101316646
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one
CID 73047399
2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
CID 58469207
1-propan-2-yl-1,2,6,7-tetrahydronaphthalene
CID 101316535
2,3-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 23532958
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
1-methyl-2,3,3a,6-tetrahydro-1H-indene
CID 145030124
5,7a-dihydro-1H-isoindole
CID 123946634
N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 130224295
3-methylidene-5-propan-2-ylcyclohexene
CID 149039202

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene?
The IUPAC name of 1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene (CID 101316569) is 1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene.
What is the SMILES notation for 1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene?
The canonical SMILES for 1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene is CC(C)C1CC=CC2=CCC=CC21.
What is the InChIKey of 1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene?
The InChIKey is JSPULKZYKGQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h4-8,10,12-13H,3,9H2,1-2H3.
What are the key properties of 1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene?
1-propan-2-yl-1,2,6,8a-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 1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene is sourced from PubChem (CID 101316569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).