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

C12H18 — CID 145155684

IUPAC1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
SMILESCC1C=CC2=C(CCCC2C)C1
InChIInChI=1S/C12H18/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyYPENOUVTIQHJRF-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds

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

1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene (PubChem CID 145155684) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene.

Molecular Properties

Compound Name1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
PubChem CID145155684
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
SMILESCC1C=CC2=C(CCCC2C)C1
InChIInChI=1S/C12H18/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyYPENOUVTIQHJRF-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene?
The IUPAC name of 1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene (CID 145155684) is 1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene.
What is the SMILES notation for 1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene?
The canonical SMILES for 1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene is CC1C=CC2=C(CCCC2C)C1.
What is the InChIKey of 1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene?
The InChIKey is YPENOUVTIQHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene?
1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene has a molecular weight of 162.28 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene is sourced from PubChem (CID 145155684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).