(1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol

C11H16O3 — CID 10750394

IUPAC(1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol
SMILESO[C@]12[C@H]3CC[C@H](C3)[C@H]1CC21OCCO1
InChIInChI=1S/C11H16O3/c12-11-8-2-1-7(5-8)9(11)6-10(11)13-3-4-14-10/h7-9,12H,1-6H2/t7-,8+,9-,11-/m1/s1
InChIKeyZZPWEKFZPJJGPI-PKIKSRDPSA-N
MW196.25 g/mol
LogP0.91
Rot. Bonds

About (1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol

(1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol (PubChem CID 10750394) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol.

Molecular Properties

Compound Name(1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol
PubChem CID10750394
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol
SMILESO[C@]12[C@H]3CC[C@H](C3)[C@H]1CC21OCCO1
InChIInChI=1S/C11H16O3/c12-11-8-2-1-7(5-8)9(11)6-10(11)13-3-4-14-10/h7-9,12H,1-6H2/t7-,8+,9-,11-/m1/s1
InChIKeyZZPWEKFZPJJGPI-PKIKSRDPSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1'R,2'S,4'R)-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-ol
CID 11593551
(10S)-tetracyclo[6.2.1.12,5.01,6]dodecan-10-ol
CID 117069606
(2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine
CID 164833704
(3'aS,7'aR)-spiro[1,3-dioxolane-2,4'-2,3,5,6,7,7a-hexahydro-1H-indene]-3'a-ol
CID 100984466
oxan-2-yl 2-hydroxyhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane-1-carboxylate
CID 139782067
(3S,5S,8R,9S,10S,13R,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 125028442
(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 99566197
(3'S,5'S,8'R,9'S,10'R,13'R,14'R)-3'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-carbonitrile
CID 162807673
(3'S,5'S,8'R,9'S,10'S,13'S,14'S)-3'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-carbonitrile
CID 99566385
(3S,8R,10S,13S,14S)-N,N,10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-amine
CID 156624792
(2'R,5'S,10'S,13'R,14'S,17'R)-2',10',13'-trimethyl-17'-[(2R)-6-methylheptan-2-yl]spiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-2'-ol
CID 162404952
(3'R,8'R,9'S,10'S,13'S,14'S)-3'-(3-hydroxypropyl)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-ol
CID 11315355

Frequently Asked Questions

What is the IUPAC name of (1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol?
The IUPAC name of (1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol (CID 10750394) is (1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol.
What is the SMILES notation for (1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol?
The canonical SMILES for (1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol is O[C@]12[C@H]3CC[C@H](C3)[C@H]1CC21OCCO1.
What is the InChIKey of (1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol?
The InChIKey is ZZPWEKFZPJJGPI-PKIKSRDPSA-N. The full InChI is InChI=1S/C11H16O3/c12-11-8-2-1-7(5-8)9(11)6-10(11)13-3-4-14-10/h7-9,12H,1-6H2/t7-,8+,9-,11-/m1/s1.
What are the key properties of (1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol?
(1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol has a molecular weight of 196.25 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'R,5'R,6'R)-spiro[1,3-dioxolane-2,3'-tricyclo[4.2.1.02,5]nonane]-2'-ol is sourced from PubChem (CID 10750394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).