tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate

C18H28O4 — CID 15091168

IUPACtert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate
SMILESCC(C)(C)OC(=O)C1=C(C2CCCCC2)OC2OCCC2C1
InChIInChI=1S/C18H28O4/c1-18(2,3)22-16(19)14-11-13-9-10-20-17(13)21-15(14)12-7-5-4-6-8-12/h12-13,17H,4-11H2,1-3H3
InChIKeyGJODBARSONDIJN-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.95
Rot. Bonds2

About tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate

tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate (PubChem CID 15091168) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate
PubChem CID15091168
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Nametert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate
SMILESCC(C)(C)OC(=O)C1=C(C2CCCCC2)OC2OCCC2C1
InChIInChI=1S/C18H28O4/c1-18(2,3)22-16(19)14-11-13-9-10-20-17(13)21-15(14)12-7-5-4-6-8-12/h12-13,17H,4-11H2,1-3H3
InChIKeyGJODBARSONDIJN-UHFFFAOYSA-N
XLogP3.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2R,4R)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 11807295
methyl (2R,4S)-2-ethoxy-6-methyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506610
methyl (2R,4R)-2-butoxy-6-methyl-4-pentyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506617
methyl (2R,4S)-2-butoxy-6-methyl-4-pentyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506618
(3S,7S)-12-methyl-2,4,11-trioxatricyclo[7.4.0.03,7]trideca-1(9),12-dien-10-one
CID 139093734
ethyl 2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
CID 12789038
ethyl (3aS,7aR)-2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
CID 12120016
ethyl (3aR,7aS)-2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
CID 12789039
tert-butyl 6-ethyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate
CID 15091166
tert-butyl (3aS,7aR)-2-methyl-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-3-carboxylate
CID 21728788
(3R,7R)-12-methyl-2,4,11-trioxatricyclo[7.4.0.03,7]trideca-1(9),12-dien-10-one
CID 101905767
methyl (2R,4R)-2-ethoxy-6-methyl-4-propyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506608

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate?
The IUPAC name of tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate (CID 15091168) is tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate.
What is the SMILES notation for tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate?
The canonical SMILES for tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate is CC(C)(C)OC(=O)C1=C(C2CCCCC2)OC2OCCC2C1.
What is the InChIKey of tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate?
The InChIKey is GJODBARSONDIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-18(2,3)22-16(19)14-11-13-9-10-20-17(13)21-15(14)12-7-5-4-6-8-12/h12-13,17H,4-11H2,1-3H3.
What are the key properties of tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate?
tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate has a molecular weight of 308.42 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-cyclohexyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran-5-carboxylate is sourced from PubChem (CID 15091168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).