4-(methoxymethyl)-4-prop-1-en-2-yloxane

C10H18O2 — CID 144557126

IUPAC4-(methoxymethyl)-4-prop-1-en-2-yloxane
SMILESC=C(C)C1(COC)CCOCC1
InChIInChI=1S/C10H18O2/c1-9(2)10(8-11-3)4-6-12-7-5-10/h1,4-8H2,2-3H3
InChIKeyGGCHTRJTMNHDSO-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.01
Rot. Bonds3

About 4-(methoxymethyl)-4-prop-1-en-2-yloxane

4-(methoxymethyl)-4-prop-1-en-2-yloxane (PubChem CID 144557126) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-prop-1-en-2-yloxane.

Molecular Properties

Compound Name4-(methoxymethyl)-4-prop-1-en-2-yloxane
PubChem CID144557126
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-(methoxymethyl)-4-prop-1-en-2-yloxane
SMILESC=C(C)C1(COC)CCOCC1
InChIInChI=1S/C10H18O2/c1-9(2)10(8-11-3)4-6-12-7-5-10/h1,4-8H2,2-3H3
InChIKeyGGCHTRJTMNHDSO-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-4-prop-2-enyloxane
CID 57602800
4-Ethyl-4-methyl-2-methylideneoxane
CID 122595930
4-(Methoxymethyl)-4-(5-methylhexa-2,4-dien-2-yl)oxane
CID 123825938
3,3-Dimethyl-4-methylideneoxane
CID 144767055
4-(Methoxymethyl)-4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]oxane
CID 166967465
(4-Prop-1-en-2-yloxan-4-yl)methanol
CID 167086020
4-Methyl-4-prop-1-en-2-yloxane
CID 168169287
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-(Cyclopentylidenemethoxymethyl)-4-methyloxane
CID 176604122
4-(Cyclohexylidenemethoxymethyl)-4-ethyloxane
CID 176604688
4-(Cyclohexylidenemethoxymethyl)-4-methyloxane
CID 176604962

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-prop-1-en-2-yloxane?
The IUPAC name of 4-(methoxymethyl)-4-prop-1-en-2-yloxane (CID 144557126) is 4-(methoxymethyl)-4-prop-1-en-2-yloxane.
What is the SMILES notation for 4-(methoxymethyl)-4-prop-1-en-2-yloxane?
The canonical SMILES for 4-(methoxymethyl)-4-prop-1-en-2-yloxane is C=C(C)C1(COC)CCOCC1.
What is the InChIKey of 4-(methoxymethyl)-4-prop-1-en-2-yloxane?
The InChIKey is GGCHTRJTMNHDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)10(8-11-3)4-6-12-7-5-10/h1,4-8H2,2-3H3.
What are the key properties of 4-(methoxymethyl)-4-prop-1-en-2-yloxane?
4-(methoxymethyl)-4-prop-1-en-2-yloxane has a molecular weight of 170.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-prop-1-en-2-yloxane is sourced from PubChem (CID 144557126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).