butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane

C10H20O4 — CID 19898407

IUPACbutane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane
SMILESC(CC1CO1)C1CO1.CCCC(O)O
InChIInChI=1S/C6H10O2.C4H10O2/c1(5-3-7-5)2-6-4-8-6;1-2-3-4(5)6/h5-6H,1-4H2;4-6H,2-3H2,1H3
InChIKeyUAIWCWPUMWHIQS-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.66
Rot. Bonds5

About butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane

butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane (PubChem CID 19898407) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane.

Molecular Properties

Compound Namebutane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane
PubChem CID19898407
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namebutane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane
SMILESC(CC1CO1)C1CO1.CCCC(O)O
InChIInChI=1S/C6H10O2.C4H10O2/c1(5-3-7-5)2-6-4-8-6;1-2-3-4(5)6/h5-6H,1-4H2;4-6H,2-3H2,1H3
InChIKeyUAIWCWPUMWHIQS-UHFFFAOYSA-N
XLogP0.66
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

bis(butane-1,1-diol);dihydrochloride
CID 173010024
butane-1,1-diol;hydrate
CID 87459661
butane;butane-1,1-diol
CID 87427051
1,5-bis(oxiran-2-yl)pentan-3-ol
CID 20657102
tetrakis(butane-1,1-diol);titanium;dihydrate
CID 168793685
butane-1,1-diol;oxotin
CID 175410549
CID 175475934
CID 175475934
(2R)-2-pentyloxirane
CID 11147691
1,7-bis(oxiran-2-yl)heptan-4-ol;methane
CID 160991643
2-[2-(oxiran-2-ylmethyl)pentyl]oxirane;hydrate
CID 87791870
2-(oxiran-2-yl)ethane-1,1-diol
CID 156784168
butane-1,1-diol;carbonic acid
CID 88634618

Frequently Asked Questions

What is the IUPAC name of butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane?
The IUPAC name of butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane (CID 19898407) is butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane.
What is the SMILES notation for butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane?
The canonical SMILES for butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane is C(CC1CO1)C1CO1.CCCC(O)O.
What is the InChIKey of butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane?
The InChIKey is UAIWCWPUMWHIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H10O2/c1(5-3-7-5)2-6-4-8-6;1-2-3-4(5)6/h5-6H,1-4H2;4-6H,2-3H2,1H3.
What are the key properties of butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane?
butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane has a molecular weight of 204.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,1-diol;2-[2-(oxiran-2-yl)ethyl]oxirane is sourced from PubChem (CID 19898407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).