(3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran

C14H18O2 — CID 45277508

IUPAC(3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran
SMILESc1ccc(C[C@@H]2OCC[C@@H]3OCC[C@@H]32)cc1
InChIInChI=1S/C14H18O2/c1-2-4-11(5-3-1)10-14-12-6-8-15-13(12)7-9-16-14/h1-5,12-14H,6-10H2/t12-,13-,14-/m0/s1
InChIKeyGVXMLIPCQWDNDO-IHRRRGAJSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds2

About (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran

(3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran (PubChem CID 45277508) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran.

Molecular Properties

Compound Name(3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran
PubChem CID45277508
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran
SMILESc1ccc(C[C@@H]2OCC[C@@H]3OCC[C@@H]32)cc1
InChIInChI=1S/C14H18O2/c1-2-4-11(5-3-1)10-14-12-6-8-15-13(12)7-9-16-14/h1-5,12-14H,6-10H2/t12-,13-,14-/m0/s1
InChIKeyGVXMLIPCQWDNDO-IHRRRGAJSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran with MolForge

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Related Compounds

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CID 79368410
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CID 79368490
1-(2-benzyloxolan-3-yl)-N-methylmethanamine
CID 79368511
N-[(2-benzyloxolan-3-yl)methyl]ethanamine
CID 79368716
(2-benzyloxan-3-yl)methanamine
CID 79367759
(3aR,4S,6aS)-4-benzyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 11830917
2-(2-phenylethyl)oxetane
CID 13354102
(2S,3S)-3-benzyloxolan-2-ol
CID 86339403
2-phenylmethoxyoxetane
CID 23030739
6-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;phenol
CID 144869562
2-benzyloxepane
CID 14272917
8-benzyl-1,7,4-dioxathiecan-9-ol
CID 91290510

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran?
The IUPAC name of (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran (CID 45277508) is (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran.
What is the SMILES notation for (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran?
The canonical SMILES for (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran is c1ccc(C[C@@H]2OCC[C@@H]3OCC[C@@H]32)cc1.
What is the InChIKey of (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran?
The InChIKey is GVXMLIPCQWDNDO-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-4-11(5-3-1)10-14-12-6-8-15-13(12)7-9-16-14/h1-5,12-14H,6-10H2/t12-,13-,14-/m0/s1.
What are the key properties of (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran?
(3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran has a molecular weight of 218.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,7aS)-4-benzyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran is sourced from PubChem (CID 45277508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).