6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene

C14H21Br — CID 142949508

IUPAC6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene
SMILESCC1(C)CCC(C)(C)C2C=C(Br)C=CC21
InChIInChI=1S/C14H21Br/c1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13/h5-6,9,11-12H,7-8H2,1-4H3
InChIKeyYWZUMBWSIUOARJ-UHFFFAOYSA-N
MW269.23 g/mol
LogP4.91
Rot. Bonds

About 6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene

6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene (PubChem CID 142949508) has the molecular formula C14H21Br and a molecular weight of 269.23 g/mol. Its IUPAC name is 6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene
PubChem CID142949508
Molecular FormulaC14H21Br
Molecular Weight269.23 g/mol
Exact Mass268.08
IUPAC Name6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene
SMILESCC1(C)CCC(C)(C)C2C=C(Br)C=CC21
InChIInChI=1S/C14H21Br/c1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13/h5-6,9,11-12H,7-8H2,1-4H3
InChIKeyYWZUMBWSIUOARJ-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1',1'-tetramethyl-3,3'-spirobi[3a,7a-dihydro-2H-indene]-5,5'-diol
CID 133081875
6,6-dimethyl-1,5a,7,8,9,9a-hexahydrobenzo[e][2]benzofuran-3-one
CID 162871030
1,1-dimethyl-3,4,4a,12a-tetrahydro-2H-chrysene
CID 174859891
(4aS,6S,9aR)-2,6,9,9-tetramethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene
CID 11241437
5-bromo-1,3,3a,7a-tetrahydroinden-2-one
CID 58169778
(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 167136179
1-hydroxy-8,8-dimethyl-2-propan-2-yl-5,6,7,8a-tetrahydro-4bH-phenanthrene-3,4-dione
CID 162942763
(4aS,6R,9aR)-2,6,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-one
CID 11053192
ethyl (4aR,9aS)-5,5-dimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-3-carboxylate
CID 10869094
(1R,6S)-8-bromo-3,6-dimethylbicyclo[4.2.0]oct-2-en-7-one
CID 11990875
4-[1-(3,5,5,8,8-pentamethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)ethenyl]cyclohexa-1,5-diene-1-carboxylic acid
CID 162445228
6-bromo-4-(4-bromocyclohexa-2,4-dien-1-yl)-2,3,4a,8a-tetrahydro-1H-naphthalene-1,4-dicarboxylic acid
CID 143660056

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene?
The IUPAC name of 6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene (CID 142949508) is 6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene.
What is the SMILES notation for 6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene?
The canonical SMILES for 6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene is CC1(C)CCC(C)(C)C2C=C(Br)C=CC21.
What is the InChIKey of 6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene?
The InChIKey is YWZUMBWSIUOARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br/c1-13(2)7-8-14(3,4)12-9-10(15)5-6-11(12)13/h5-6,9,11-12H,7-8H2,1-4H3.
What are the key properties of 6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene?
6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene has a molecular weight of 269.23 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene is sourced from PubChem (CID 142949508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).