butane;1-propan-2-ylnaphthalene

C17H24 — CID 157253186

IUPACbutane;1-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccccc12.CCCC
InChIInChI=1S/C13H14.C4H10/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-3-4-2/h3-10H,1-2H3;3-4H2,1-2H3
InChIKeyAWOOJKPGHIPBBN-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.77
Rot. Bonds2

About butane;1-propan-2-ylnaphthalene

butane;1-propan-2-ylnaphthalene (PubChem CID 157253186) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is butane;1-propan-2-ylnaphthalene.

Molecular Properties

Compound Namebutane;1-propan-2-ylnaphthalene
PubChem CID157253186
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Namebutane;1-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccccc12.CCCC
InChIInChI=1S/C13H14.C4H10/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-3-4-2/h3-10H,1-2H3;3-4H2,1-2H3
InChIKeyAWOOJKPGHIPBBN-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
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1-propan-2-ylnaphthalene;sulfuric acid
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1-propan-2-ylphenanthrene
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1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
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1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
6-ethyl-1-propan-2-ylnaphthalene
CID 123206196
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463

Frequently Asked Questions

What is the IUPAC name of butane;1-propan-2-ylnaphthalene?
The IUPAC name of butane;1-propan-2-ylnaphthalene (CID 157253186) is butane;1-propan-2-ylnaphthalene.
What is the SMILES notation for butane;1-propan-2-ylnaphthalene?
The canonical SMILES for butane;1-propan-2-ylnaphthalene is CC(C)c1cccc2ccccc12.CCCC.
What is the InChIKey of butane;1-propan-2-ylnaphthalene?
The InChIKey is AWOOJKPGHIPBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C4H10/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-3-4-2/h3-10H,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;1-propan-2-ylnaphthalene?
butane;1-propan-2-ylnaphthalene has a molecular weight of 228.38 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-propan-2-ylnaphthalene is sourced from PubChem (CID 157253186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).