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

C17H30 — CID 144539733

IUPACethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC(C)C1CCCc2ccccc21
InChIInChI=1S/C13H18.2C2H6/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;2*1-2/h3-4,6,8,10,12H,5,7,9H2,1-2H3;2*1-2H3
InChIKeyBOGBPEMSWPKCCC-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.81
Rot. Bonds1

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

ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 144539733) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID144539733
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC(C)C1CCCc2ccccc21
InChIInChI=1S/C13H18.2C2H6/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;2*1-2/h3-4,6,8,10,12H,5,7,9H2,1-2H3;2*1-2H3
InChIKeyBOGBPEMSWPKCCC-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
1-propan-2-yl-4-tritio-2,3-dihydro-1H-indene
CID 155790145
(6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene
CID 170538993
6-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 59559014
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723

Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 144539733) is ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC.CC.CC(C)C1CCCc2ccccc21.
What is the InChIKey of ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BOGBPEMSWPKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.2C2H6/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;2*1-2/h3-4,6,8,10,12H,5,7,9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 234.43 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 144539733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).