1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane

C13H22O2 — CID 102492310

IUPAC1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane
SMILESC=CC=C1CC(COCC)(COCC)C1
InChIInChI=1S/C13H22O2/c1-4-7-12-8-13(9-12,10-14-5-2)11-15-6-3/h4,7H,1,5-6,8-11H2,2-3H3
InChIKeyFVGJAJZKWYYDLM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds7

About 1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane

1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane (PubChem CID 102492310) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane.

Molecular Properties

Compound Name1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane
PubChem CID102492310
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane
SMILESC=CC=C1CC(COCC)(COCC)C1
InChIInChI=1S/C13H22O2/c1-4-7-12-8-13(9-12,10-14-5-2)11-15-6-3/h4,7H,1,5-6,8-11H2,2-3H3
InChIKeyFVGJAJZKWYYDLM-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Bis(methoxymethyl)-1,3-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene
CID 102149759
1-[[3,3-Bis(ethoxymethyl)cyclobutylidene]methyl]cyclopentene
CID 101542127
1-[[3,3-Bis(ethoxymethyl)cyclobutylidene]methyl]cyclohexene
CID 101542128
1,1-Bis(ethoxymethyl)-3-(3-methylbut-3-en-2-ylidene)cyclobutane
CID 101542133
2-[3,3-Bis(ethoxymethyl)cyclobutylidene]ethylidenecyclohexane
CID 102492311
[3-Methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium
CID 59952655
3-(Cyclopropylmethylidene)-1,1-bis(methoxymethyl)cyclobutane
CID 141062322
1,5-Dimethyl-5-(propoxymethyl)cyclohexa-1,3-diene
CID 141989686
Methane;[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium
CID 158842892
3-(Cyclohexa-1,5-dien-1-ylmethyl)-3-methyloxetane
CID 177996733
[3-Methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+)
CID 20645085
1,1-Bis(ethoxymethyl)-3-(2-methylprop-2-enylidene)cyclobutane
CID 101536423

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane?
The IUPAC name of 1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane (CID 102492310) is 1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane.
What is the SMILES notation for 1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane?
The canonical SMILES for 1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane is C=CC=C1CC(COCC)(COCC)C1.
What is the InChIKey of 1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane?
The InChIKey is FVGJAJZKWYYDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-7-12-8-13(9-12,10-14-5-2)11-15-6-3/h4,7H,1,5-6,8-11H2,2-3H3.
What are the key properties of 1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane?
1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane has a molecular weight of 210.32 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethoxymethyl)-3-prop-2-enylidenecyclobutane is sourced from PubChem (CID 102492310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).