1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene

C13H18 — CID 101316522

IUPAC1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene
SMILESCC(C)C1CCC=C2C=CC=CC21
InChIInChI=1S/C13H18/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-4,6-8,10,12-13H,5,9H2,1-2H3
InChIKeyAZWGYRAHDCHWIY-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.72
Rot. Bonds1

About 1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene

1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene (PubChem CID 101316522) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene
PubChem CID101316522
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene
SMILESCC(C)C1CCC=C2C=CC=CC21
InChIInChI=1S/C13H18/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-4,6-8,10,12-13H,5,9H2,1-2H3
InChIKeyAZWGYRAHDCHWIY-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

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Related Compounds

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1-phenyl-1,2,3,8a-tetrahydronaphthalene
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CID 101316646
1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
CID 101316569
4-propan-2-yl-1,2,4a,8a-tetrahydronaphthalene
CID 101316504
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CID 131884681
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CID 174873778
(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
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(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
(6E)-2-methyl-3,4,5,10a-tetrahydro-1H-2-benzazocine
CID 177452177
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
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tricyclo[9.4.0.03,8]pentadeca-1(15),4,6,8,10,13-hexaen-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene?
The IUPAC name of 1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene (CID 101316522) is 1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene.
What is the SMILES notation for 1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene?
The canonical SMILES for 1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene is CC(C)C1CCC=C2C=CC=CC21.
What is the InChIKey of 1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene?
The InChIKey is AZWGYRAHDCHWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-4,6-8,10,12-13H,5,9H2,1-2H3.
What are the key properties of 1-propan-2-yl-1,2,3,8a-tetrahydronaphthalene?
1-propan-2-yl-1,2,3,8a-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-1,2,3,8a-tetrahydronaphthalene is sourced from PubChem (CID 101316522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).