2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene

C13H20 — CID 101316618

IUPAC2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
SMILESCC(C)C1CCC2=C(C=CCC2)C1
InChIInChI=1S/C13H20/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h4,6,10,12H,3,5,7-9H2,1-2H3
InChIKeyPGOWXITVXUFADL-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.09
Rot. Bonds1

About 2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene

2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene (PubChem CID 101316618) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene.

Molecular Properties

Compound Name2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
PubChem CID101316618
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
SMILESCC(C)C1CCC2=C(C=CCC2)C1
InChIInChI=1S/C13H20/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h4,6,10,12H,3,5,7-9H2,1-2H3
InChIKeyPGOWXITVXUFADL-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

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Related Compounds

8-(1,2,3,4,5,6-hexahydronaphthalen-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 156837988
3-methyl-3,4,7,8-tetrahydro-1H-isochromene
CID 145476057
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
1,2,4-tri(propan-2-yl)cyclohexene
CID 177269639
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
1,2,3,4,5,6-hexahydroisoquinoline
CID 22152420
(5R)-1-methyl-5-propan-2-ylcyclohexene
CID 91700558
8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
CID 177327707
2-(3-methoxypropyl)-2,3,4,5-tetrahydro-1H-indene
CID 143283144
2-(3,4,5,6-tetrahydro-1H-isoquinolin-2-ylmethyl)-3,4,5,6-tetrahydro-1H-isoquinoline
CID 144724097
1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene
CID 142636500
2-methyl-4-propan-2-yl-3,4,7,8-tetrahydro-1H-isoquinoline
CID 142442838

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene?
The IUPAC name of 2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene (CID 101316618) is 2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene.
What is the SMILES notation for 2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene?
The canonical SMILES for 2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene is CC(C)C1CCC2=C(C=CCC2)C1.
What is the InChIKey of 2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene?
The InChIKey is PGOWXITVXUFADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h4,6,10,12H,3,5,7-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene?
2-propan-2-yl-1,2,3,4,5,6-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 2-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene is sourced from PubChem (CID 101316618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).