(2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane]

C16H28O2 — CID 155935315

IUPAC(2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane]
SMILESCC1CC[C@@]2(OC1)O[C@H]1CC(C)C(C)(C)[C@H]1[C@@H]2C
InChIInChI=1S/C16H28O2/c1-10-6-7-16(17-9-10)12(3)14-13(18-16)8-11(2)15(14,4)5/h10-14H,6-9H2,1-5H3/t10?,11?,12-,13-,14-,16+/m0/s1
InChIKeyVJYGIFMFOULRHD-PPZNRIDQSA-N
MW252.40 g/mol
LogP3.85
Rot. Bonds

About (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane]

(2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane] (PubChem CID 155935315) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane].

Molecular Properties

Compound Name(2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane]
PubChem CID155935315
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane]
SMILESCC1CC[C@@]2(OC1)O[C@H]1CC(C)C(C)(C)[C@H]1[C@@H]2C
InChIInChI=1S/C16H28O2/c1-10-6-7-16(17-9-10)12(3)14-13(18-16)8-11(2)15(14,4)5/h10-14H,6-9H2,1-5H3/t10?,11?,12-,13-,14-,16+/m0/s1
InChIKeyVJYGIFMFOULRHD-PPZNRIDQSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane] with MolForge

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Launch Full Analysis

Related Compounds

(1'R,2'R,3'aR,6'aR)-1',3'a,5,5,6'a-pentamethylspiro[1,3-dioxane-2,5'-2,3,4,6-tetrahydro-1H-pentalene]-2'-ol
CID 90681906
(1'S,2'R,3'aR,6'aR)-1',3'a,5,5,6'a-pentamethylspiro[1,3-dioxane-2,5'-2,3,4,6-tetrahydro-1H-pentalene]-2'-ol
CID 90681907
(1S,2R,3aS,4aR,5'R,8aS,8bR)-1,5',8a-trimethylspiro[3a,4,4a,5,6,7,8,8b-octahydro-1H-indeno[2,1-b]furan-2,2'-oxane]
CID 145714289
(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan
CID 134970805
(3aR,4R,6aS)-4-[(3R)-4,4-dimethyl-3-(oxan-2-yloxy)octyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 54198694
4,6-ditert-butyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 59115895
6a-(3-Methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 69011781
1,7-Dimethoxy-3,5,5,6,6-pentamethyl-2-oxabicyclo[2.2.1]heptane
CID 89757972
1,3-Dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane
CID 118082183
4,6-ditert-butylspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 118144691
(3aR,4R,5R,6aS)-4-octyl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 140187975
4-tert-butyl-2,2-dimethyl-6-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 142101866

Frequently Asked Questions

What is the IUPAC name of (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane]?
The IUPAC name of (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane] (CID 155935315) is (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane].
What is the SMILES notation for (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane]?
The canonical SMILES for (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane] is CC1CC[C@@]2(OC1)O[C@H]1CC(C)C(C)(C)[C@H]1[C@@H]2C.
What is the InChIKey of (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane]?
The InChIKey is VJYGIFMFOULRHD-PPZNRIDQSA-N. The full InChI is InChI=1S/C16H28O2/c1-10-6-7-16(17-9-10)12(3)14-13(18-16)8-11(2)15(14,4)5/h10-14H,6-9H2,1-5H3/t10?,11?,12-,13-,14-,16+/m0/s1.
What are the key properties of (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane]?
(2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane] has a molecular weight of 252.40 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,3aR,6aS)-3,4,4,5,5'-pentamethylspiro[3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2,2'-oxane] is sourced from PubChem (CID 155935315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).