1,5-dimethyl-4a,8a-dihydronaphthalene

C12H14 — CID 15555373

IUPAC1,5-dimethyl-4a,8a-dihydronaphthalene
SMILESCC1=CC=CC2C(C)=CC=CC12
InChIInChI=1S/C12H14/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8,11-12H,1-2H3
InChIKeyIPJOIHQXCRULOK-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.25
Rot. Bonds

About 1,5-dimethyl-4a,8a-dihydronaphthalene

1,5-dimethyl-4a,8a-dihydronaphthalene (PubChem CID 15555373) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,5-dimethyl-4a,8a-dihydronaphthalene.

Molecular Properties

Compound Name1,5-dimethyl-4a,8a-dihydronaphthalene
PubChem CID15555373
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1,5-dimethyl-4a,8a-dihydronaphthalene
SMILESCC1=CC=CC2C(C)=CC=CC12
InChIInChI=1S/C12H14/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8,11-12H,1-2H3
InChIKeyIPJOIHQXCRULOK-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4a,8a-dihydronaphthalene?
The IUPAC name of 1,5-dimethyl-4a,8a-dihydronaphthalene (CID 15555373) is 1,5-dimethyl-4a,8a-dihydronaphthalene.
What is the SMILES notation for 1,5-dimethyl-4a,8a-dihydronaphthalene?
The canonical SMILES for 1,5-dimethyl-4a,8a-dihydronaphthalene is CC1=CC=CC2C(C)=CC=CC12.
What is the InChIKey of 1,5-dimethyl-4a,8a-dihydronaphthalene?
The InChIKey is IPJOIHQXCRULOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8,11-12H,1-2H3.
What are the key properties of 1,5-dimethyl-4a,8a-dihydronaphthalene?
1,5-dimethyl-4a,8a-dihydronaphthalene has a molecular weight of 158.24 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4a,8a-dihydronaphthalene is sourced from PubChem (CID 15555373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).