butane-1,3-diol;1-prop-1-enoxyprop-1-ene

C10H20O3 — CID 173191608

IUPACbutane-1,3-diol;1-prop-1-enoxyprop-1-ene
SMILESCC(O)CCO.CC=COC=CC
InChIInChI=1S/C6H10O.C4H10O2/c1-3-5-7-6-4-2;1-4(6)2-3-5/h3-6H,1-2H3;4-6H,2-3H2,1H3
InChIKeyCWLHLWLELAOOHY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.82
Rot. Bonds4

About butane-1,3-diol;1-prop-1-enoxyprop-1-ene

butane-1,3-diol;1-prop-1-enoxyprop-1-ene (PubChem CID 173191608) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is butane-1,3-diol;1-prop-1-enoxyprop-1-ene.

Molecular Properties

Compound Namebutane-1,3-diol;1-prop-1-enoxyprop-1-ene
PubChem CID173191608
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namebutane-1,3-diol;1-prop-1-enoxyprop-1-ene
SMILESCC(O)CCO.CC=COC=CC
InChIInChI=1S/C6H10O.C4H10O2/c1-3-5-7-6-4-2;1-4(6)2-3-5/h3-6H,1-2H3;4-6H,2-3H2,1H3
InChIKeyCWLHLWLELAOOHY-UHFFFAOYSA-N
XLogP1.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-prop-1-enoxy]propan-1-ol
CID 22617123
Butane-1,3-diol;ethenoxyethene
CID 23500101
3-Prop-1-enoxypropan-1-ol
CID 53848318
4-But-1-enoxybutane-1,2-diol
CID 54326411
4-Prop-1-enoxybutan-2-ol
CID 57035345
4-Prop-1-en-2-yloxypentan-2-ol
CID 85854741
Butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene
CID 87658981
3-[(Z)-prop-1-enoxy]propan-1-ol
CID 87861133
propane-1,2-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene
CID 87865597
2,2-dimethylpropane-1,3-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene
CID 87865637
1,3-Bis(prop-1-enoxy)butane
CID 87913392
butane-1,4-diol;(Z)-1-[(Z)-prop-1-enoxy]prop-1-ene
CID 88252290

Frequently Asked Questions

What is the IUPAC name of butane-1,3-diol;1-prop-1-enoxyprop-1-ene?
The IUPAC name of butane-1,3-diol;1-prop-1-enoxyprop-1-ene (CID 173191608) is butane-1,3-diol;1-prop-1-enoxyprop-1-ene.
What is the SMILES notation for butane-1,3-diol;1-prop-1-enoxyprop-1-ene?
The canonical SMILES for butane-1,3-diol;1-prop-1-enoxyprop-1-ene is CC(O)CCO.CC=COC=CC.
What is the InChIKey of butane-1,3-diol;1-prop-1-enoxyprop-1-ene?
The InChIKey is CWLHLWLELAOOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H10O2/c1-3-5-7-6-4-2;1-4(6)2-3-5/h3-6H,1-2H3;4-6H,2-3H2,1H3.
What are the key properties of butane-1,3-diol;1-prop-1-enoxyprop-1-ene?
butane-1,3-diol;1-prop-1-enoxyprop-1-ene has a molecular weight of 188.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,3-diol;1-prop-1-enoxyprop-1-ene is sourced from PubChem (CID 173191608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).