(1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane]

C11H14O2 — CID 155682582

IUPAC(1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane]
SMILESC1=COC2(C[C@H]3[C@@H]4CC[C@@H]4C[C@H]32)O1
InChIInChI=1S/C11H14O2/c1-2-8-7(1)5-10-9(8)6-11(10)12-3-4-13-11/h3-4,7-10H,1-2,5-6H2/t7-,8-,9+,10-/m1/s1
InChIKeyWGVRQUHSCQFGIQ-DOLQZWNJSA-N
MW178.23 g/mol
LogP2.27
Rot. Bonds

About (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane]

(1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane] (PubChem CID 155682582) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane].

Molecular Properties

Compound Name(1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane]
PubChem CID155682582
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane]
SMILESC1=COC2(C[C@H]3[C@@H]4CC[C@@H]4C[C@H]32)O1
InChIInChI=1S/C11H14O2/c1-2-8-7(1)5-10-9(8)6-11(10)12-3-4-13-11/h3-4,7-10H,1-2,5-6H2/t7-,8-,9+,10-/m1/s1
InChIKeyWGVRQUHSCQFGIQ-DOLQZWNJSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane] with MolForge

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Related Compounds

(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
CID 21116154
tricyclo[3.3.0.02,7]octane
CID 13112141
2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631
tricyclo[4.4.0.02,8]decane
CID 585864
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,16-diamine
CID 169008899
2'-(3,5-dimethylbenzene-4-id-1-yl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydro-1H-phenanthrene];yttrium
CID 58650720
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
3,3-dimethoxy-13,16-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 163530349
(3R,5R,8R,9R,10S,13S,14S,16R,17R)-17-amino-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,16-diol
CID 68995953

Frequently Asked Questions

What is the IUPAC name of (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane]?
The IUPAC name of (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane] (CID 155682582) is (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane].
What is the SMILES notation for (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane]?
The canonical SMILES for (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane] is C1=COC2(C[C@H]3[C@@H]4CC[C@@H]4C[C@H]32)O1.
What is the InChIKey of (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane]?
The InChIKey is WGVRQUHSCQFGIQ-DOLQZWNJSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-8-7(1)5-10-9(8)6-11(10)12-3-4-13-11/h3-4,7-10H,1-2,5-6H2/t7-,8-,9+,10-/m1/s1.
What are the key properties of (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane]?
(1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane] has a molecular weight of 178.23 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'S,5'R,7'R)-spiro[1,3-dioxole-2,4'-tricyclo[5.2.0.02,5]nonane] is sourced from PubChem (CID 155682582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).