bis(butan-1-ol);cyclobutane

C12H28O2 — CID 140562216

IUPACbis(butan-1-ol);cyclobutane
SMILESC1CCC1.CCCCO.CCCCO
InChIInChI=1S/2C4H10O.C4H8/c2*1-2-3-4-5;1-2-4-3-1/h2*5H,2-4H2,1H3;1-4H2
InChIKeyAOQYOINZEYUUKV-UHFFFAOYSA-N
MW204.35 g/mol
LogP3.12
Rot. Bonds4

About bis(butan-1-ol);cyclobutane

bis(butan-1-ol);cyclobutane (PubChem CID 140562216) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is bis(butan-1-ol);cyclobutane.

Molecular Properties

Compound Namebis(butan-1-ol);cyclobutane
PubChem CID140562216
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Namebis(butan-1-ol);cyclobutane
SMILESC1CCC1.CCCCO.CCCCO
InChIInChI=1S/2C4H10O.C4H8/c2*1-2-3-4-5;1-2-4-3-1/h2*5H,2-4H2,1H3;1-4H2
InChIKeyAOQYOINZEYUUKV-UHFFFAOYSA-N
XLogP3.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 25200102
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Frequently Asked Questions

What is the IUPAC name of bis(butan-1-ol);cyclobutane?
The IUPAC name of bis(butan-1-ol);cyclobutane (CID 140562216) is bis(butan-1-ol);cyclobutane.
What is the SMILES notation for bis(butan-1-ol);cyclobutane?
The canonical SMILES for bis(butan-1-ol);cyclobutane is C1CCC1.CCCCO.CCCCO.
What is the InChIKey of bis(butan-1-ol);cyclobutane?
The InChIKey is AOQYOINZEYUUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.C4H8/c2*1-2-3-4-5;1-2-4-3-1/h2*5H,2-4H2,1H3;1-4H2.
What are the key properties of bis(butan-1-ol);cyclobutane?
bis(butan-1-ol);cyclobutane has a molecular weight of 204.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-1-ol);cyclobutane is sourced from PubChem (CID 140562216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).