ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)

C30H48O2 — CID 160603603

IUPACethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)
SMILESCC.CC.CC(C)C1CC(Oc2ccccc2)C1.CC(C)C1CC(Oc2ccccc2)C1
InChIInChI=1S/2C13H18O.2C2H6/c2*1-10(2)11-8-13(9-11)14-12-6-4-3-5-7-12;2*1-2/h2*3-7,10-11,13H,8-9H2,1-2H3;2*1-2H3
InChIKeyREOZKNDWLYKUPV-UHFFFAOYSA-N
MW440.71 g/mol
LogP9.05
Rot. Bonds6

About ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)

ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene) (PubChem CID 160603603) has the molecular formula C30H48O2 and a molecular weight of 440.71 g/mol. Its IUPAC name is ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene).

Molecular Properties

Compound Nameethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)
PubChem CID160603603
Molecular FormulaC30H48O2
Molecular Weight440.71 g/mol
Exact Mass440.37
IUPAC Nameethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)
SMILESCC.CC.CC(C)C1CC(Oc2ccccc2)C1.CC(C)C1CC(Oc2ccccc2)C1
InChIInChI=1S/2C13H18O.2C2H6/c2*1-10(2)11-8-13(9-11)14-12-6-4-3-5-7-12;2*1-2/h2*3-7,10-11,13H,8-9H2,1-2H3;2*1-2H3
InChIKeyREOZKNDWLYKUPV-UHFFFAOYSA-N
XLogP9.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.71
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-propan-2-ylcyclobutyl)oxybenzonitrile
CID 118071296
(3-methylcyclobutyl)oxybenzene
CID 126670705
tert-butyl N-[(3-phenoxy-5-propan-2-ylcyclohexanecarbonyl)amino]carbamate
CID 90889208
(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
CID 21116177
cyclopent-3-en-1-yloxybenzene
CID 125476101
2-(4-propan-2-ylcyclohexyl)oxynaphthalene
CID 141348691
2-ethyl-5-phenoxy-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 166981321
2-methyl-4-phenoxypyrrolidine
CID 90167586
(2R,4S)-2-methyl-4-phenoxypyrrolidine
CID 90167785
1-[(2S)-4-phenoxy-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 71207257
(3,3,5,5-tetramethylcyclohexyl)oxybenzene
CID 141032828
N-methyl-3-phenoxycyclohexan-1-amine
CID 79618884

Frequently Asked Questions

What is the IUPAC name of ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)?
The IUPAC name of ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene) (CID 160603603) is ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene).
What is the SMILES notation for ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)?
The canonical SMILES for ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene) is CC.CC.CC(C)C1CC(Oc2ccccc2)C1.CC(C)C1CC(Oc2ccccc2)C1.
What is the InChIKey of ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)?
The InChIKey is REOZKNDWLYKUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18O.2C2H6/c2*1-10(2)11-8-13(9-11)14-12-6-4-3-5-7-12;2*1-2/h2*3-7,10-11,13H,8-9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene)?
ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene) has a molecular weight of 440.71 g/mol, XLogP of 9.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis((3-propan-2-ylcyclobutyl)oxybenzene) is sourced from PubChem (CID 160603603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).