8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene

C14H22 — CID 177327707

IUPAC8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
SMILESCC1=C2CC(C(C)C)CCC2=CCC1
InChIInChI=1S/C14H22/c1-10(2)13-8-7-12-6-4-5-11(3)14(12)9-13/h6,10,13H,4-5,7-9H2,1-3H3
InChIKeyUVGLRRPBECKEBR-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds1

About 8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene

8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene (PubChem CID 177327707) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene.

Molecular Properties

Compound Name8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
PubChem CID177327707
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
SMILESCC1=C2CC(C(C)C)CCC2=CCC1
InChIInChI=1S/C14H22/c1-10(2)13-8-7-12-6-4-5-11(3)14(12)9-13/h6,10,13H,4-5,7-9H2,1-3H3
InChIKeyUVGLRRPBECKEBR-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
The IUPAC name of 8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene (CID 177327707) is 8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene.
What is the SMILES notation for 8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
The canonical SMILES for 8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene is CC1=C2CC(C(C)C)CCC2=CCC1.
What is the InChIKey of 8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
The InChIKey is UVGLRRPBECKEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-10(2)13-8-7-12-6-4-5-11(3)14(12)9-13/h6,10,13H,4-5,7-9H2,1-3H3.
What are the key properties of 8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene is sourced from PubChem (CID 177327707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).