2,3-dimethyl-1,8a-dihydronaphthalene

C12H14 — CID 143243652

IUPAC2,3-dimethyl-1,8a-dihydronaphthalene
SMILESCC1=C(C)CC2C=CC=CC2=C1
InChIInChI=1S/C12H14/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-7,12H,8H2,1-2H3
InChIKeyOSBWTSQKFXKUQD-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.40
Rot. Bonds

About 2,3-dimethyl-1,8a-dihydronaphthalene

2,3-dimethyl-1,8a-dihydronaphthalene (PubChem CID 143243652) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,3-dimethyl-1,8a-dihydronaphthalene.

Molecular Properties

Compound Name2,3-dimethyl-1,8a-dihydronaphthalene
PubChem CID143243652
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name2,3-dimethyl-1,8a-dihydronaphthalene
SMILESCC1=C(C)CC2C=CC=CC2=C1
InChIInChI=1S/C12H14/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-7,12H,8H2,1-2H3
InChIKeyOSBWTSQKFXKUQD-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,8a-dihydronaphthalene?
The IUPAC name of 2,3-dimethyl-1,8a-dihydronaphthalene (CID 143243652) is 2,3-dimethyl-1,8a-dihydronaphthalene.
What is the SMILES notation for 2,3-dimethyl-1,8a-dihydronaphthalene?
The canonical SMILES for 2,3-dimethyl-1,8a-dihydronaphthalene is CC1=C(C)CC2C=CC=CC2=C1.
What is the InChIKey of 2,3-dimethyl-1,8a-dihydronaphthalene?
The InChIKey is OSBWTSQKFXKUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-7,12H,8H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,8a-dihydronaphthalene?
2,3-dimethyl-1,8a-dihydronaphthalene has a molecular weight of 158.24 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,8a-dihydronaphthalene is sourced from PubChem (CID 143243652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).