[(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate

C14H25NO5 — CID 10902255

IUPAC[(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate
SMILESCO[C@H]1COC2C1OC[C@H]2OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H25NO5/c1-8(2)15(9(3)4)14(16)20-11-7-19-12-10(17-5)6-18-13(11)12/h8-13H,6-7H2,1-5H3/t10-,11+,12?,13?/m0/s1
InChIKeyJCGYQWAKEDJVBQ-ZFDZMSFRSA-N
MW287.36 g/mol
LogP1.42
Rot. Bonds4

About [(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate

[(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 10902255) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate
PubChem CID10902255
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name[(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate
SMILESCO[C@H]1COC2C1OC[C@H]2OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H25NO5/c1-8(2)15(9(3)4)14(16)20-11-7-19-12-10(17-5)6-18-13(11)12/h8-13H,6-7H2,1-5H3/t10-,11+,12?,13?/m0/s1
InChIKeyJCGYQWAKEDJVBQ-ZFDZMSFRSA-N
XLogP1.42
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate (CID 10902255) is [(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate is CO[C@H]1COC2C1OC[C@H]2OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is JCGYQWAKEDJVBQ-ZFDZMSFRSA-N. The full InChI is InChI=1S/C14H25NO5/c1-8(2)15(9(3)4)14(16)20-11-7-19-12-10(17-5)6-18-13(11)12/h8-13H,6-7H2,1-5H3/t10-,11+,12?,13?/m0/s1.
What are the key properties of [(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate?
[(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 287.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10902255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).