2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene

C16H24 — CID 123872864

IUPAC2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCCC(C)C1CCc2cc(C)c(C)cc2C1
InChIInChI=1S/C16H24/c1-5-11(2)14-6-7-15-8-12(3)13(4)9-16(15)10-14/h8-9,11,14H,5-7,10H2,1-4H3
InChIKeyWFTIAYZXLFOWMM-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.45
Rot. Bonds2

About 2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene

2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 123872864) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID123872864
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCCC(C)C1CCc2cc(C)c(C)cc2C1
InChIInChI=1S/C16H24/c1-5-11(2)14-6-7-15-8-12(3)13(4)9-16(15)10-14/h8-9,11,14H,5-7,10H2,1-4H3
InChIKeyWFTIAYZXLFOWMM-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 142618185
(4R)-4-butan-2-yl-1-propan-2-ylcyclohexene
CID 142893677
methane;1,5,6-trimethyl-2,3-dihydro-1H-indene;2,5,6-trimethyl-2,3-dihydro-1H-indene
CID 161247777
N-butan-2-yl-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 20553539
(1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 97304138
4-butan-2-yl-1-methylcyclohexene;5-methylbenzene-4,6-diide-1,3-diol;bis(yttrium)
CID 156810022
(2R)-2,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 177260649
3-methyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112815
(2R)-7-methoxy-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130692007
5,6-dimethyl-2,3-dihydro-1H-inden-2-ol
CID 86145079
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclopentane;ethane
CID 143236269

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene (CID 123872864) is 2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene is CCC(C)C1CCc2cc(C)c(C)cc2C1.
What is the InChIKey of 2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WFTIAYZXLFOWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-5-11(2)14-6-7-15-8-12(3)13(4)9-16(15)10-14/h8-9,11,14H,5-7,10H2,1-4H3.
What are the key properties of 2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene?
2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 216.37 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 123872864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).