(3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

C15H20O2 — CID 10513766

IUPAC(3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESc1ccc(COC[C@H]2CC[C@@H]3COC[C@H]23)cc1
InChIInChI=1S/C15H20O2/c1-2-4-12(5-3-1)8-16-9-13-6-7-14-10-17-11-15(13)14/h1-5,13-15H,6-11H2/t13-,14-,15-/m1/s1
InChIKeyCFGDYAPWJMDDRM-RBSFLKMASA-N
MW232.32 g/mol
LogP2.88
Rot. Bonds4

About (3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

(3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (PubChem CID 10513766) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name(3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
PubChem CID10513766
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESc1ccc(COC[C@H]2CC[C@@H]3COC[C@H]23)cc1
InChIInChI=1S/C15H20O2/c1-2-4-12(5-3-1)8-16-9-13-6-7-14-10-17-11-15(13)14/h1-5,13-15H,6-11H2/t13-,14-,15-/m1/s1
InChIKeyCFGDYAPWJMDDRM-RBSFLKMASA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
4-(phenylmethoxymethyl)-4,5-dihydro-1,3-oxazole
CID 152778467
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
[(2R,6S)-6-(phenylmethoxymethyl)-1,4-dioxan-2-yl]methyl acetate
CID 93493280
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(2S,3R)-1-benzyl-3-(phenylmethoxymethyl)azetidine-2-carboxylic acid
CID 126651453
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The IUPAC name of (3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (CID 10513766) is (3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for (3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The canonical SMILES for (3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is c1ccc(COC[C@H]2CC[C@@H]3COC[C@H]23)cc1.
What is the InChIKey of (3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The InChIKey is CFGDYAPWJMDDRM-RBSFLKMASA-N. The full InChI is InChI=1S/C15H20O2/c1-2-4-12(5-3-1)8-16-9-13-6-7-14-10-17-11-15(13)14/h1-5,13-15H,6-11H2/t13-,14-,15-/m1/s1.
What are the key properties of (3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
(3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan has a molecular weight of 232.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 10513766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).