ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C17H32 — CID 160891896

IUPACethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC.C.CC.CC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H18.C2H6.2CH4/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-2;;/h7-10H,3-6H2,1-2H3;1-2H3;2*1H4
InChIKeySOJNEXUPTNHHQS-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.99
Rot. Bonds1

About ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 160891896) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID160891896
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Nameethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC.C.CC.CC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H18.C2H6.2CH4/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-2;;/h7-10H,3-6H2,1-2H3;1-2H3;2*1H4
InChIKeySOJNEXUPTNHHQS-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
3-propan-2-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 157156221
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopent-3-en-1-amine
CID 113262702
6-(1-chloro-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 82083794
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal
CID 82040234
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
CID 164603454

Frequently Asked Questions

What is the IUPAC name of ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 160891896) is ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is C.C.CC.CC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SOJNEXUPTNHHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C2H6.2CH4/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-2;;/h7-10H,3-6H2,1-2H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 236.44 g/mol, XLogP of 5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 160891896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).