3-propan-2-yl-1,2,3,5-tetrahydronaphthalene

C13H18 — CID 101316545

IUPAC3-propan-2-yl-1,2,3,5-tetrahydronaphthalene
SMILESCC(C)C1C=C2CC=CC=C2CC1
InChIInChI=1S/C13H18/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-5,9-10,12H,6-8H2,1-2H3
InChIKeyHYNASDPUBQJUIW-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.87
Rot. Bonds1

About 3-propan-2-yl-1,2,3,5-tetrahydronaphthalene

3-propan-2-yl-1,2,3,5-tetrahydronaphthalene (PubChem CID 101316545) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,3,5-tetrahydronaphthalene.

Molecular Properties

Compound Name3-propan-2-yl-1,2,3,5-tetrahydronaphthalene
PubChem CID101316545
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name3-propan-2-yl-1,2,3,5-tetrahydronaphthalene
SMILESCC(C)C1C=C2CC=CC=C2CC1
InChIInChI=1S/C13H18/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-5,9-10,12H,6-8H2,1-2H3
InChIKeyHYNASDPUBQJUIW-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
(1E,5Z,10S)-3,7-dimethylidene-10-propan-2-ylcyclodeca-1,5-diene
CID 165345238
trimethyl-[(5S)-5-propan-2-ylcyclohepta-1,3-dien-1-yl]oxysilane
CID 11322076
1-chloro-3-propan-2-ylcyclohexene
CID 177223430
2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
CID 102081594
1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene
CID 173425674
tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
2-cyclopenta-1,3-dien-1-yl-5-methylcyclopenta-1,3-diene
CID 19888185
(3-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane
CID 173184588

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2,3,5-tetrahydronaphthalene?
The IUPAC name of 3-propan-2-yl-1,2,3,5-tetrahydronaphthalene (CID 101316545) is 3-propan-2-yl-1,2,3,5-tetrahydronaphthalene.
What is the SMILES notation for 3-propan-2-yl-1,2,3,5-tetrahydronaphthalene?
The canonical SMILES for 3-propan-2-yl-1,2,3,5-tetrahydronaphthalene is CC(C)C1C=C2CC=CC=C2CC1.
What is the InChIKey of 3-propan-2-yl-1,2,3,5-tetrahydronaphthalene?
The InChIKey is HYNASDPUBQJUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-5,9-10,12H,6-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,2,3,5-tetrahydronaphthalene?
3-propan-2-yl-1,2,3,5-tetrahydronaphthalene has a molecular weight of 174.29 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2,3,5-tetrahydronaphthalene is sourced from PubChem (CID 101316545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).