5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene

C16H24 — CID 123689027

IUPAC5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCCC(C)c1cccc2c1CC(C)C(C)C2
InChIInChI=1S/C16H24/c1-5-11(2)15-8-6-7-14-9-12(3)13(4)10-16(14)15/h6-8,11-13H,5,9-10H2,1-4H3
InChIKeyWWDNZDOYBYCIAG-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.57
Rot. Bonds2

About 5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene

5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 123689027) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID123689027
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCCC(C)c1cccc2c1CC(C)C(C)C2
InChIInChI=1S/C16H24/c1-5-11(2)15-8-6-7-14-9-12(3)13(4)10-16(14)15/h6-8,11-13H,5,9-10H2,1-4H3
InChIKeyWWDNZDOYBYCIAG-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 156687185
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
ethane;2-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 143482609
4-butan-2-yl-2,3-dihydro-1-benzofuran
CID 144643347
8-butan-2-yl-2-(1-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline
CID 146518983
(7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 143917176
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene
CID 118911595
[4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol
CID 175179853
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane
CID 144742858
2-butan-2-yl-6-cyclopropylphenol
CID 3058303
3-methyl-8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 130041054
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene (CID 123689027) is 5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene is CCC(C)c1cccc2c1CC(C)C(C)C2.
What is the InChIKey of 5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WWDNZDOYBYCIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-5-11(2)15-8-6-7-14-9-12(3)13(4)10-16(14)15/h6-8,11-13H,5,9-10H2,1-4H3.
What are the key properties of 5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene?
5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 216.37 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 123689027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).