[(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate

C19H31NO3 — CID 15498755

IUPAC[(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate
SMILESC=C1C[C@H](/C=C/C)O[C@H](/C=C/C)[C@@H]1OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H31NO3/c1-8-10-16-12-15(7)18(17(22-16)11-9-2)23-19(21)20(13(3)4)14(5)6/h8-11,13-14,16-18H,7,12H2,1-6H3/b10-8+,11-9+/t16-,17+,18+/m0/s1
InChIKeyFDWNQZVZEXUCPC-AKCVFNNCSA-N
MW321.46 g/mol
LogP4.48
Rot. Bonds5

About [(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate

[(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 15498755) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is [(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate
PubChem CID15498755
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name[(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate
SMILESC=C1C[C@H](/C=C/C)O[C@H](/C=C/C)[C@@H]1OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H31NO3/c1-8-10-16-12-15(7)18(17(22-16)11-9-2)23-19(21)20(13(3)4)14(5)6/h8-11,13-14,16-18H,7,12H2,1-6H3/b10-8+,11-9+/t16-,17+,18+/m0/s1
InChIKeyFDWNQZVZEXUCPC-AKCVFNNCSA-N
XLogP4.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.48
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,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate (CID 15498755) is [(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate is C=C1C[C@H](/C=C/C)O[C@H](/C=C/C)[C@@H]1OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is FDWNQZVZEXUCPC-AKCVFNNCSA-N. The full InChI is InChI=1S/C19H31NO3/c1-8-10-16-12-15(7)18(17(22-16)11-9-2)23-19(21)20(13(3)4)14(5)6/h8-11,13-14,16-18H,7,12H2,1-6H3/b10-8+,11-9+/t16-,17+,18+/m0/s1.
What are the key properties of [(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate?
[(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 321.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 15498755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).