3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene

C12H15Cl — CID 56990392

IUPAC3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene
SMILESCC1=C2C=C(Cl)CCC2C(C)C=C1
InChIInChI=1S/C12H15Cl/c1-8-3-4-9(2)12-7-10(13)5-6-11(8)12/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyWEBYQBFPMZGUBO-UHFFFAOYSA-N
MW194.71 g/mol
LogP4.04
Rot. Bonds

About 3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene

3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene (PubChem CID 56990392) has the molecular formula C12H15Cl and a molecular weight of 194.71 g/mol. Its IUPAC name is 3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene
PubChem CID56990392
Molecular FormulaC12H15Cl
Molecular Weight194.71 g/mol
Exact Mass194.09
IUPAC Name3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene
SMILESCC1=C2C=C(Cl)CCC2C(C)C=C1
InChIInChI=1S/C12H15Cl/c1-8-3-4-9(2)12-7-10(13)5-6-11(8)12/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyWEBYQBFPMZGUBO-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene?
The IUPAC name of 3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene (CID 56990392) is 3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene.
What is the SMILES notation for 3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene?
The canonical SMILES for 3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene is CC1=C2C=C(Cl)CCC2C(C)C=C1.
What is the InChIKey of 3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene?
The InChIKey is WEBYQBFPMZGUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-8-3-4-9(2)12-7-10(13)5-6-11(8)12/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of 3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene?
3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene has a molecular weight of 194.71 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,8-dimethyl-1,2,8,8a-tetrahydronaphthalene is sourced from PubChem (CID 56990392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).