(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane

C20H32O4 — CID 146531557

IUPAC(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane
SMILESC=C1C[C@H](CCC2OCCO2)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C)O1
InChIInChI=1S/C20H32O4/c1-13-11-17(23-16(4)15(13)3)5-7-19-14(2)12-18(24-19)6-8-20-21-9-10-22-20/h13,16-20H,2-3,5-12H2,1,4H3/t13-,16-,17+,18+,19+/m1/s1
InChIKeyWVDMZHDXAJWQGR-UVMNYOIOSA-N
MW336.47 g/mol
LogP4.00
Rot. Bonds6

About (2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane

(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane (PubChem CID 146531557) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane.

Molecular Properties

Compound Name(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane
PubChem CID146531557
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane
SMILESC=C1C[C@H](CCC2OCCO2)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C)O1
InChIInChI=1S/C20H32O4/c1-13-11-17(23-16(4)15(13)3)5-7-19-14(2)12-18(24-19)6-8-20-21-9-10-22-20/h13,16-20H,2-3,5-12H2,1,4H3/t13-,16-,17+,18+,19+/m1/s1
InChIKeyWVDMZHDXAJWQGR-UVMNYOIOSA-N
XLogP4.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane?
The IUPAC name of (2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane (CID 146531557) is (2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane.
What is the SMILES notation for (2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane?
The canonical SMILES for (2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane is C=C1C[C@H](CCC2OCCO2)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C)O1.
What is the InChIKey of (2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane?
The InChIKey is WVDMZHDXAJWQGR-UVMNYOIOSA-N. The full InChI is InChI=1S/C20H32O4/c1-13-11-17(23-16(4)15(13)3)5-7-19-14(2)12-18(24-19)6-8-20-21-9-10-22-20/h13,16-20H,2-3,5-12H2,1,4H3/t13-,16-,17+,18+,19+/m1/s1.
What are the key properties of (2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane?
(2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane has a molecular weight of 336.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-6-[2-[(2S,5S)-5-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylideneoxolan-2-yl]ethyl]-2,4-dimethyl-3-methylideneoxane is sourced from PubChem (CID 146531557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).