butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene

C12H24O3 — CID 87658981

IUPACbutane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene
SMILESCC(C)=COC=C(C)C.CC(O)CCO
InChIInChI=1S/C8H14O.C4H10O2/c1-7(2)5-9-6-8(3)4;1-4(6)2-3-5/h5-6H,1-4H3;4-6H,2-3H2,1H3
InChIKeyYZWBUSOYTRSFKP-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.60
Rot. Bonds4

About butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene

butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene (PubChem CID 87658981) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene.

Molecular Properties

Compound Namebutane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene
PubChem CID87658981
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namebutane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene
SMILESCC(C)=COC=C(C)C.CC(O)CCO
InChIInChI=1S/C8H14O.C4H10O2/c1-7(2)5-9-6-8(3)4;1-4(6)2-3-5/h5-6H,1-4H3;4-6H,2-3H2,1H3
InChIKeyYZWBUSOYTRSFKP-UHFFFAOYSA-N
XLogP2.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.60
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

4-Prop-1-en-2-yloxypentan-2-ol
CID 85854741
Butane-1,4-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene
CID 87658337
Butane-1,3-diol;3-(2-ethylbut-1-enoxymethylidene)pentane
CID 87658619
2-Methyl-1-(2-methylprop-1-enoxy)prop-1-ene;2-methylpropane-1,3-diol
CID 87658923
1,3-Bis(2-methylprop-1-enoxy)butane
CID 87658980
2-(Hydroxymethyl)-2-(2-methylprop-1-enoxymethyl)propane-1,3-diol
CID 87711259
Butan-2-ol;2-methylprop-1-ene;propan-2-ol
CID 88733258
3-(Ethoxymethylidene)pentane-2,4-diol
CID 141022365
Butane-1,3-diol;2-methylbut-2-ene
CID 157337126
Butane-1,3-diol;bis(2-methylprop-1-ene)
CID 160551826
Butane-1,3-diol;1-prop-1-enoxyprop-1-ene
CID 173191608
2,2-Dimethyl-3-(2-methylprop-1-enoxy)propan-1-ol
CID 81217782

Frequently Asked Questions

What is the IUPAC name of butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene?
The IUPAC name of butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene (CID 87658981) is butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene.
What is the SMILES notation for butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene?
The canonical SMILES for butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene is CC(C)=COC=C(C)C.CC(O)CCO.
What is the InChIKey of butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene?
The InChIKey is YZWBUSOYTRSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C4H10O2/c1-7(2)5-9-6-8(3)4;1-4(6)2-3-5/h5-6H,1-4H3;4-6H,2-3H2,1H3.
What are the key properties of butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene?
butane-1,3-diol;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene has a molecular weight of 216.32 g/mol, XLogP of 2.60, 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;2-methyl-1-(2-methylprop-1-enoxy)prop-1-ene is sourced from PubChem (CID 87658981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).