(4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane

C11H18O2 — CID 11095259

IUPAC(4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
SMILESC=CC[C@H]1OC(C)(C)O[C@H]1C(=C)C
InChIInChI=1S/C11H18O2/c1-6-7-9-10(8(2)3)13-11(4,5)12-9/h6,9-10H,1-2,7H2,3-5H3/t9-,10+/m1/s1
InChIKeyWDVDVHZOAQQBED-ZJUUUORDSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds3

About (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane

(4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane (PubChem CID 11095259) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
PubChem CID11095259
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
SMILESC=CC[C@H]1OC(C)(C)O[C@H]1C(=C)C
InChIInChI=1S/C11H18O2/c1-6-7-9-10(8(2)3)13-11(4,5)12-9/h6,9-10H,1-2,7H2,3-5H3/t9-,10+/m1/s1
InChIKeyWDVDVHZOAQQBED-ZJUUUORDSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane with MolForge

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Related Compounds

2-(Oct-3-yn-1-yl)-2-(prop-1-en-2-yl)-1,3-dioxolane
CID 24975372
1,3-Dioxolane, 2,2-dimethyl-4,5-divinyl-
CID 538638
(4S)-2,2-Dimethyl-4-(prop-1-en-2-yl)-1,3-dioxolane
CID 71391888
(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane
CID 134846281
(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane
CID 134960666
(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 134967156
2-But-3-enyl-2-ethyl-1,3-dioxolane
CID 135038706
(4S,5R)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 135043605
(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
CID 135057215
(4R)-4-ethenyl-2,2,4,5-tetramethyl-1,3-dioxolane
CID 137286752
(4S,5R)-4-but-3-ynyl-5-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 139249347
tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane
CID 139249348

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane?
The IUPAC name of (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane (CID 11095259) is (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane.
What is the SMILES notation for (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane?
The canonical SMILES for (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane is C=CC[C@H]1OC(C)(C)O[C@H]1C(=C)C.
What is the InChIKey of (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane?
The InChIKey is WDVDVHZOAQQBED-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-7-9-10(8(2)3)13-11(4,5)12-9/h6,9-10H,1-2,7H2,3-5H3/t9-,10+/m1/s1.
What are the key properties of (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane?
(4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane is sourced from PubChem (CID 11095259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).