2-methyl-1,3-bis(prop-1-enoxy)propane

C10H18O2 — CID 139984965

IUPAC2-methyl-1,3-bis(prop-1-enoxy)propane
SMILESCC=COCC(C)COC=CC
InChIInChI=1S/C10H18O2/c1-4-6-11-8-10(3)9-12-7-5-2/h4-7,10H,8-9H2,1-3H3
InChIKeyXSDKDVRQOJITDD-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.72
Rot. Bonds6

About 2-methyl-1,3-bis(prop-1-enoxy)propane

2-methyl-1,3-bis(prop-1-enoxy)propane (PubChem CID 139984965) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-1,3-bis(prop-1-enoxy)propane.

Molecular Properties

Compound Name2-methyl-1,3-bis(prop-1-enoxy)propane
PubChem CID139984965
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-1,3-bis(prop-1-enoxy)propane
SMILESCC=COCC(C)COC=CC
InChIInChI=1S/C10H18O2/c1-4-6-11-8-10(3)9-12-7-5-2/h4-7,10H,8-9H2,1-3H3
InChIKeyXSDKDVRQOJITDD-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(e)-1-Butenyl 2-methylpropyl ether
CID 13782479
1-Propene, 1-(2-methylpropoxy)-
CID 140156
1,3-Dipropenoxy-2,2-dimethylpropane
CID 57247861
cis-1-Propenyl isobutyl ether
CID 5462934
(z)-1-Butenyl 2-methylpropyl ether
CID 13782480
(S)-2-Methylbutylpropenylather
CID 129632567
Ether, isobutyl propenyl, (E)-
CID 5462823
(E)-3-methyl-1-[(E)-3-methylbut-1-enoxy]but-1-ene
CID 22289762
1,3-bis[(E)-prop-1-enoxy]propane
CID 22345702
2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane
CID 23556500
1,3-Bis(prop-1-enoxy)propane
CID 53827698
3-Methyl-1-(3-methylbut-1-enoxy)but-1-ene
CID 54016531

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(prop-1-enoxy)propane?
The IUPAC name of 2-methyl-1,3-bis(prop-1-enoxy)propane (CID 139984965) is 2-methyl-1,3-bis(prop-1-enoxy)propane.
What is the SMILES notation for 2-methyl-1,3-bis(prop-1-enoxy)propane?
The canonical SMILES for 2-methyl-1,3-bis(prop-1-enoxy)propane is CC=COCC(C)COC=CC.
What is the InChIKey of 2-methyl-1,3-bis(prop-1-enoxy)propane?
The InChIKey is XSDKDVRQOJITDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-11-8-10(3)9-12-7-5-2/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-methyl-1,3-bis(prop-1-enoxy)propane?
2-methyl-1,3-bis(prop-1-enoxy)propane has a molecular weight of 170.25 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis(prop-1-enoxy)propane is sourced from PubChem (CID 139984965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).