(2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane

C15H26O3 — CID 10587070

IUPAC(2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane
SMILESC=C[C@H]1CCCO[C@@H]1CCCC1COC(C)(C)O1
InChIInChI=1S/C15H26O3/c1-4-12-7-6-10-16-14(12)9-5-8-13-11-17-15(2,3)18-13/h4,12-14H,1,5-11H2,2-3H3/t12-,13?,14+/m0/s1
InChIKeyDPLPWLDRFXKYPD-SMEJFCCLSA-N
MW254.37 g/mol
LogP3.29
Rot. Bonds5

About (2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane

(2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane (PubChem CID 10587070) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane.

Molecular Properties

Compound Name(2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane
PubChem CID10587070
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane
SMILESC=C[C@H]1CCCO[C@@H]1CCCC1COC(C)(C)O1
InChIInChI=1S/C15H26O3/c1-4-12-7-6-10-16-14(12)9-5-8-13-11-17-15(2,3)18-13/h4,12-14H,1,5-11H2,2-3H3/t12-,13?,14+/m0/s1
InChIKeyDPLPWLDRFXKYPD-SMEJFCCLSA-N
XLogP3.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane?
The IUPAC name of (2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane (CID 10587070) is (2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane.
What is the SMILES notation for (2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane?
The canonical SMILES for (2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane is C=C[C@H]1CCCO[C@@H]1CCCC1COC(C)(C)O1.
What is the InChIKey of (2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane?
The InChIKey is DPLPWLDRFXKYPD-SMEJFCCLSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-12-7-6-10-16-14(12)9-5-8-13-11-17-15(2,3)18-13/h4,12-14H,1,5-11H2,2-3H3/t12-,13?,14+/m0/s1.
What are the key properties of (2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane?
(2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane has a molecular weight of 254.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl]-3-ethenyloxane is sourced from PubChem (CID 10587070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).