ethane-1,2-diol;bis(2-methylprop-1-ene)

C10H22O2 — CID 158620433

IUPACethane-1,2-diol;bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.OCCO
InChIInChI=1S/2C4H8.C2H6O2/c2*1-4(2)3;3-1-2-4/h2*1H2,2-3H3;3-4H,1-2H2
InChIKeyHXXRJGVTCDJIIO-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.14
Rot. Bonds1

About ethane-1,2-diol;bis(2-methylprop-1-ene)

ethane-1,2-diol;bis(2-methylprop-1-ene) (PubChem CID 158620433) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is ethane-1,2-diol;bis(2-methylprop-1-ene).

Molecular Properties

Compound Nameethane-1,2-diol;bis(2-methylprop-1-ene)
PubChem CID158620433
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Nameethane-1,2-diol;bis(2-methylprop-1-ene)
SMILESC=C(C)C.C=C(C)C.OCCO
InChIInChI=1S/2C4H8.C2H6O2/c2*1-4(2)3;3-1-2-4/h2*1H2,2-3H3;3-4H,1-2H2
InChIKeyHXXRJGVTCDJIIO-UHFFFAOYSA-N
XLogP2.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
ethane-1,2-diol;prop-1-en-2-ol
CID 87135468
bis(2-methylprop-1-ene);propane
CID 159493997
ethane-1,2-diol;2-methylprop-2-eneperoxoic acid
CID 87450882
methane;tetrakis(2-methylprop-1-ene)
CID 159196476
ethane-1,2-diol;ethene
CID 173008703
ethane;tris(2-methylprop-1-ene)
CID 144520420
(ethane-1,2-diol);ethene
CID 173372663
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178
ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate
CID 87381259
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;bis(2-methylprop-1-ene)?
The IUPAC name of ethane-1,2-diol;bis(2-methylprop-1-ene) (CID 158620433) is ethane-1,2-diol;bis(2-methylprop-1-ene).
What is the SMILES notation for ethane-1,2-diol;bis(2-methylprop-1-ene)?
The canonical SMILES for ethane-1,2-diol;bis(2-methylprop-1-ene) is C=C(C)C.C=C(C)C.OCCO.
What is the InChIKey of ethane-1,2-diol;bis(2-methylprop-1-ene)?
The InChIKey is HXXRJGVTCDJIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8.C2H6O2/c2*1-4(2)3;3-1-2-4/h2*1H2,2-3H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;bis(2-methylprop-1-ene)?
ethane-1,2-diol;bis(2-methylprop-1-ene) has a molecular weight of 174.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;bis(2-methylprop-1-ene) is sourced from PubChem (CID 158620433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).