1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

C13H20 — CID 101316646

IUPAC1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
SMILESCC(C)C1CCC=C2CCC=CC21
InChIInChI=1S/C13H20/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h4,7-8,10,12-13H,3,5-6,9H2,1-2H3
InChIKeyKUUFEPPYBPFOHR-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.94
Rot. Bonds1

About 1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene (PubChem CID 101316646) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene.

Molecular Properties

Compound Name1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
PubChem CID101316646
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
SMILESCC(C)C1CCC=C2CCC=CC21
InChIInChI=1S/C13H20/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h4,7-8,10,12-13H,3,5-6,9H2,1-2H3
InChIKeyKUUFEPPYBPFOHR-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.94
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
2,4,5,7a-tetrahydro-1H-indene;propane
CID 145030145
(9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene
CID 129409176
(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
CID 134897656
2-methyl-6-propan-2-ylcyclohex-2-ene-1-carbaldehyde
CID 174873778
1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
CID 101316569
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
(5R)-bicyclo[3.2.0]hept-1-ene
CID 15939344
(1R,2S,3S,6Z,10S)-3-methyl-11-phenylsulfanyl-10-propan-2-ylbicyclo[5.3.1]undec-6-en-2-ol
CID 135048573
3a,4,5,6-tetrahydro-1H-indene;ethane
CID 90917521
1-cyclopent-2-en-1-ylcyclohexene
CID 14358731

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene?
The IUPAC name of 1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene (CID 101316646) is 1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene.
What is the SMILES notation for 1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene?
The canonical SMILES for 1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene is CC(C)C1CCC=C2CCC=CC21.
What is the InChIKey of 1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene?
The InChIKey is KUUFEPPYBPFOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h4,7-8,10,12-13H,3,5-6,9H2,1-2H3.
What are the key properties of 1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene?
1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene has a molecular weight of 176.30 g/mol, XLogP of 3.94, 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-1,2,3,5,6,8a-hexahydronaphthalene is sourced from PubChem (CID 101316646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).