1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene

C12H18 — CID 171800450

IUPAC1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene
SMILESCC1=C2CCCC(C)C2=CCC1
InChIInChI=1S/C12H18/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h7,9H,3-6,8H2,1-2H3
InChIKeyQBWAPTDQKQQRSK-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds

About 1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene

1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene (PubChem CID 171800450) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene.

Molecular Properties

Compound Name1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene
PubChem CID171800450
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene
SMILESCC1=C2CCCC(C)C2=CCC1
InChIInChI=1S/C12H18/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h7,9H,3-6,8H2,1-2H3
InChIKeyQBWAPTDQKQQRSK-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene?
The IUPAC name of 1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene (CID 171800450) is 1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene.
What is the SMILES notation for 1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene?
The canonical SMILES for 1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene is CC1=C2CCCC(C)C2=CCC1.
What is the InChIKey of 1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene?
The InChIKey is QBWAPTDQKQQRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene?
1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1,2,3,4,6,7-hexahydronaphthalene is sourced from PubChem (CID 171800450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).