1,8a-dimethyl-1H-naphthalene

C12H14 — CID 142600309

IUPAC1,8a-dimethyl-1H-naphthalene
SMILESCC1C=CC=C2C=CC=CC21C
InChIInChI=1S/C12H14/c1-10-6-5-8-11-7-3-4-9-12(10,11)2/h3-10H,1-2H3
InChIKeyHOIHEYIUZINWOV-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.25
Rot. Bonds

About 1,8a-dimethyl-1H-naphthalene

1,8a-dimethyl-1H-naphthalene (PubChem CID 142600309) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,8a-dimethyl-1H-naphthalene.

Molecular Properties

Compound Name1,8a-dimethyl-1H-naphthalene
PubChem CID142600309
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1,8a-dimethyl-1H-naphthalene
SMILESCC1C=CC=C2C=CC=CC21C
InChIInChI=1S/C12H14/c1-10-6-5-8-11-7-3-4-9-12(10,11)2/h3-10H,1-2H3
InChIKeyHOIHEYIUZINWOV-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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Related Compounds

1aH-naphtho[1,8a-b]oxirene
CID 71356014
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3-dimethylbenzene
CID 141380218
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 141155390
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-4-methylpyridine
CID 141264829
11-(8a-methyl-1H-naphthalen-1-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 147128486
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-1H-imidazole
CID 141490927
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,3-dicarboxamide
CID 141314967
tricyclo[8.5.0.01,5]pentadeca-2,4,6,8,10,12,14-heptaene
CID 154429334
8a-methyl-1H-naphthalene-1,4-diamine
CID 163261239
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
(6Z,8E,10Z,12E)-cyclopenta[12]annulen-3a-ol
CID 173036066
N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine
CID 123221285

Frequently Asked Questions

What is the IUPAC name of 1,8a-dimethyl-1H-naphthalene?
The IUPAC name of 1,8a-dimethyl-1H-naphthalene (CID 142600309) is 1,8a-dimethyl-1H-naphthalene.
What is the SMILES notation for 1,8a-dimethyl-1H-naphthalene?
The canonical SMILES for 1,8a-dimethyl-1H-naphthalene is CC1C=CC=C2C=CC=CC21C.
What is the InChIKey of 1,8a-dimethyl-1H-naphthalene?
The InChIKey is HOIHEYIUZINWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-10-6-5-8-11-7-3-4-9-12(10,11)2/h3-10H,1-2H3.
What are the key properties of 1,8a-dimethyl-1H-naphthalene?
1,8a-dimethyl-1H-naphthalene 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 1,8a-dimethyl-1H-naphthalene is sourced from PubChem (CID 142600309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).