(4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane

C11H18O2 — CID 11126907

IUPAC(4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/[C@H]1OC(C)(C)O[C@@H]1/C=C/C
InChIInChI=1S/C11H18O2/c1-5-7-9-10(8-6-2)13-11(3,4)12-9/h5-10H,1-4H3/b7-5+,8-6+/t9-,10-/m1/s1
InChIKeyJJXUKFYFNIQSJC-PKVXPVJZSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds2

About (4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane

(4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane (PubChem CID 11126907) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane
PubChem CID11126907
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/[C@H]1OC(C)(C)O[C@@H]1/C=C/C
InChIInChI=1S/C11H18O2/c1-5-7-9-10(8-6-2)13-11(3,4)12-9/h5-10H,1-4H3/b7-5+,8-6+/t9-,10-/m1/s1
InChIKeyJJXUKFYFNIQSJC-PKVXPVJZSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
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

Geranial propylene glycol acetal
CID 5338463
(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
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CID 343120
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl-
CID 61519
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
2-(Dimethoxymethyl)-2,5-dihydro-2,5-dimethoxyfuran
CID 108407
3,4-Dehydrobrevicomin
CID 536095
1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,5-dimethyl-
CID 5980986
2,3-Dehydrobrevicomin
CID 125991
(3As,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 10986433
(1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 10986460
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 44238498

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane?
The IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane (CID 11126907) is (4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane is C/C=C/[C@H]1OC(C)(C)O[C@@H]1/C=C/C.
What is the InChIKey of (4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane?
The InChIKey is JJXUKFYFNIQSJC-PKVXPVJZSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-7-9-10(8-6-2)13-11(3,4)12-9/h5-10H,1-4H3/b7-5+,8-6+/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane?
(4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-dimethyl-4,5-bis[(E)-prop-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 11126907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).