butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene

C19H34 — CID 142179547

IUPACbutane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC.CCCC.CCc1ccc(C)c2c1CCCC2
InChIInChI=1S/C13H18.C4H10.C2H6/c1-3-11-9-8-10(2)12-6-4-5-7-13(11)12;1-3-4-2;1-2/h8-9H,3-7H2,1-2H3;3-4H2,1-2H3;1-2H3
InChIKeyPCZBODAXDBOCRB-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.27
Rot. Bonds2

About butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene

butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 142179547) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namebutane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID142179547
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Namebutane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC.CCCC.CCc1ccc(C)c2c1CCCC2
InChIInChI=1S/C13H18.C4H10.C2H6/c1-3-11-9-8-10(2)12-6-4-5-7-13(11)12;1-3-4-2;1-2/h8-9H,3-7H2,1-2H3;3-4H2,1-2H3;1-2H3
InChIKeyPCZBODAXDBOCRB-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]naphthalene
CID 143195979
(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
CID 115014565
2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid
CID 117281877
(7-methyl-2,3-dihydro-1H-inden-4-yl)methanol
CID 117276140
1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 139941681
4-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butanoic acid
CID 117336753
4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane
CID 142235417
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-amine
CID 117292036
4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene
CID 142235418
4-ethyl-7-methyl-2,3-dihydroinden-1-one
CID 18720358
7-ethyl-4-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 144593921
ethyl 4-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 24974859

Frequently Asked Questions

What is the IUPAC name of butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene (CID 142179547) is butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene is CC.CCCC.CCc1ccc(C)c2c1CCCC2.
What is the InChIKey of butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PCZBODAXDBOCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C4H10.C2H6/c1-3-11-9-8-10(2)12-6-4-5-7-13(11)12;1-3-4-2;1-2/h8-9H,3-7H2,1-2H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene?
butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 262.48 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;5-ethyl-8-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 142179547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).