1,1-dimethoxyprop-1-ene

C5H10O2 — CID 11768513

IUPAC1,1-dimethoxyprop-1-ene
SMILESCC=C(OC)OC
InChIInChI=1S/C5H10O2/c1-4-5(6-2)7-3/h4H,1-3H3
InChIKeyNJVXMQKYAZVZHT-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.14
Rot. Bonds2

About 1,1-dimethoxyprop-1-ene

1,1-dimethoxyprop-1-ene (PubChem CID 11768513) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 1,1-dimethoxyprop-1-ene.

Molecular Properties

Compound Name1,1-dimethoxyprop-1-ene
PubChem CID11768513
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name1,1-dimethoxyprop-1-ene
SMILESCC=C(OC)OC
InChIInChI=1S/C5H10O2/c1-4-5(6-2)7-3/h4H,1-3H3
InChIKeyNJVXMQKYAZVZHT-UHFFFAOYSA-N
XLogP1.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.14
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

1-Propene, 1,1-diethoxy-
CID 140841
Dimethyl(E)-1-propenyl orthoacetate
CID 5463432
1,1-Dimethoxy-1,3-butadiene
CID 12476837
1,1-Dimethoxybut-1-ene
CID 13452371
lithium (Z)-1-methoxyprop-1-en-1-olate
CID 23667476
CID 59601808
CID 59601808
Divinyloxypropene
CID 129742392
Dimethyl(E)-1-propenyl orthoformate
CID 5463430
(E)-1-Methoxymethoxy-propene
CID 11296879
1-(Methoxymethoxy)prop-1-ene
CID 522041
1-(Prop-1-enoxymethoxy)prop-1-ene
CID 73823024
(E)-1-ethoxyprop-1-en-1-olate
CID 134611716

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyprop-1-ene?
The IUPAC name of 1,1-dimethoxyprop-1-ene (CID 11768513) is 1,1-dimethoxyprop-1-ene.
What is the SMILES notation for 1,1-dimethoxyprop-1-ene?
The canonical SMILES for 1,1-dimethoxyprop-1-ene is CC=C(OC)OC.
What is the InChIKey of 1,1-dimethoxyprop-1-ene?
The InChIKey is NJVXMQKYAZVZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-4-5(6-2)7-3/h4H,1-3H3.
What are the key properties of 1,1-dimethoxyprop-1-ene?
1,1-dimethoxyprop-1-ene has a molecular weight of 102.13 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyprop-1-ene is sourced from PubChem (CID 11768513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).