5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane

C14H22O3 — CID 134854473

IUPAC5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1(CC2=CCOC2)COC(C)(C)OC1
InChIInChI=1S/C14H22O3/c1-4-6-14(8-12-5-7-15-9-12)10-16-13(2,3)17-11-14/h4-5H,1,6-11H2,2-3H3
InChIKeyBFOWZIILFBMFGP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.68
Rot. Bonds4

About 5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane

5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane (PubChem CID 134854473) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
PubChem CID134854473
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1(CC2=CCOC2)COC(C)(C)OC1
InChIInChI=1S/C14H22O3/c1-4-6-14(8-12-5-7-15-9-12)10-16-13(2,3)17-11-14/h4-5H,1,6-11H2,2-3H3
InChIKeyBFOWZIILFBMFGP-UHFFFAOYSA-N
XLogP2.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
2,5,5-trimethyl-2-[(3S)-3-methyl-3-(2-methylidenebut-3-enyl)cyclopenten-1-yl]-1,3-dioxane
CID 71492108
3-(1,1-Dimethoxyethoxy)-1,5,5-trimethylcyclohexene
CID 135039529
2-[(3,5,5-Trimethylcyclohex-2-en-1-yl)oxy]oxane
CID 330572
7,9,9-Trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 15564254
5-methyl-2-propan-2-yl-2-[(E)-prop-1-enyl]-5-propyl-1,3-dioxane
CID 20692056
3,3-Diethoxy-1,5,5-trimethylcyclohexene
CID 23064934
3-Prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 54433852
9,9-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 143298065
2-Hex-1-enyl-2-methoxy-3-methyloxane
CID 150187464
2-methoxy-3-[(Z)-4-methoxybut-2-enyl]oxane
CID 10081507
2-methoxy-3-[(E)-1-methoxybut-2-enyl]oxane
CID 10241901

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane?
The IUPAC name of 5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane (CID 134854473) is 5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for 5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane?
The canonical SMILES for 5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane is C=CCC1(CC2=CCOC2)COC(C)(C)OC1.
What is the InChIKey of 5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane?
The InChIKey is BFOWZIILFBMFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-6-14(8-12-5-7-15-9-12)10-16-13(2,3)17-11-14/h4-5H,1,6-11H2,2-3H3.
What are the key properties of 5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane?
5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane has a molecular weight of 238.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 134854473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).