1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene

C13H20 — CID 101316613

IUPAC1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene
SMILESCC(C)C1CCCC2=C1CC=CC2
InChIInChI=1S/C13H20/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-4,10,12H,5-9H2,1-2H3
InChIKeyUUPDBHIBYHSQOA-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.09
Rot. Bonds1

About 1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene

1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene (PubChem CID 101316613) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene.

Molecular Properties

Compound Name1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene
PubChem CID101316613
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene
SMILESCC(C)C1CCCC2=C1CC=CC2
InChIInChI=1S/C13H20/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-4,10,12H,5-9H2,1-2H3
InChIKeyUUPDBHIBYHSQOA-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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 1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene?
The IUPAC name of 1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene (CID 101316613) is 1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene.
What is the SMILES notation for 1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene?
The canonical SMILES for 1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene is CC(C)C1CCCC2=C1CC=CC2.
What is the InChIKey of 1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene?
The InChIKey is UUPDBHIBYHSQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-4,10,12H,5-9H2,1-2H3.
What are the key properties of 1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene?
1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene has a molecular weight of 176.30 g/mol, XLogP of 4.09, 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-1,2,3,4,5,8-hexahydronaphthalene is sourced from PubChem (CID 101316613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).