(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

C14H24O2 — CID 98573353

IUPAC(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
SMILESC[C@@H]1OC2(C[C@@H]3CC[C@]2(C)C3(C)C)O[C@@H]1C
InChIInChI=1S/C14H24O2/c1-9-10(2)16-14(15-9)8-11-6-7-13(14,5)12(11,3)4/h9-11H,6-8H2,1-5H3/t9-,10+,11-,13+,14?/m0/s1
InChIKeyBKDJZRSRCQULOM-YJWVNASPSA-N
MW224.34 g/mol
LogP3.35
Rot. Bonds

About (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] (PubChem CID 98573353) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
PubChem CID98573353
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
SMILESC[C@@H]1OC2(C[C@@H]3CC[C@]2(C)C3(C)C)O[C@@H]1C
InChIInChI=1S/C14H24O2/c1-9-10(2)16-14(15-9)8-11-6-7-13(14,5)12(11,3)4/h9-11H,6-8H2,1-5H3/t9-,10+,11-,13+,14?/m0/s1
InChIKeyBKDJZRSRCQULOM-YJWVNASPSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] with MolForge

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Related Compounds

(5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane]
CID 100949250
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1'R,3aR,4S,4'R,5R,6R,7S,7aS)-1',7',7'-trimethyl-4,5,6,7-tetrakis(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]
CID 14505233
[(3aR,4S,5S,6R,7R,7aS)-6,7-bis(2,2-dimethylpropanoyloxy)-5-hydroxy-1',7',7'-trimethylspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]-4-yl] 2,2-dimethylpropanoate
CID 101169166
[(1R,2R,2'S,4R)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxirane]-2'-yl]methanol
CID 130831289
(3aR,4R,5S,6S,7R,7aS)-1',7',7'-trimethyl-4,5,6-tris(phenylmethoxy)-7-trityloxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]
CID 101169168
(1S,2R,4R)-1,7,7-trimethyl-2-(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 175436353
1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 88706988
2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
CID 21014915
(1'R,3aS,4R,4'R,5S,6R,7R,7aR)-1',7',7'-trimethyl-4,5,6-tris(phenylmethoxy)-7-prop-2-enoxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]
CID 11422224
1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol
CID 141237439
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254

Frequently Asked Questions

What is the IUPAC name of (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] (CID 98573353) is (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] is C[C@@H]1OC2(C[C@@H]3CC[C@]2(C)C3(C)C)O[C@@H]1C.
What is the InChIKey of (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The InChIKey is BKDJZRSRCQULOM-YJWVNASPSA-N. The full InChI is InChI=1S/C14H24O2/c1-9-10(2)16-14(15-9)8-11-6-7-13(14,5)12(11,3)4/h9-11H,6-8H2,1-5H3/t9-,10+,11-,13+,14?/m0/s1.
What are the key properties of (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] has a molecular weight of 224.34 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 98573353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).