(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]

C12H18O2 — CID 21116154

IUPAC(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
SMILESC1C[C@H]2[C@@H]3CC([C@H]2C1)C1(C3)OCCO1
InChIInChI=1S/C12H18O2/c1-2-9-8-6-11(10(9)3-1)12(7-8)13-4-5-14-12/h8-11H,1-7H2/t8-,9+,10+,11?/m1/s1
InChIKeyHIDQGLHUSVXEQZ-LCVSCUNMSA-N
MW194.27 g/mol
LogP2.19
Rot. Bonds

About (1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]

(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane] (PubChem CID 21116154) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane].

Molecular Properties

Compound Name(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
PubChem CID21116154
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
SMILESC1C[C@H]2[C@@H]3CC([C@H]2C1)C1(C3)OCCO1
InChIInChI=1S/C12H18O2/c1-2-9-8-6-11(10(9)3-1)12(7-8)13-4-5-14-12/h8-11H,1-7H2/t8-,9+,10+,11?/m1/s1
InChIKeyHIDQGLHUSVXEQZ-LCVSCUNMSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane] with MolForge

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Related Compounds

(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
spiro[oxolane-2,16'-tetracyclo[7.5.2.02,7.010,14]hexadecane]
CID 69253002
9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
CID 91591704
8-ethyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386822
(1'R,2'S,6'R,7'R)-spiro[1,3-dioxolane-2,8'-4-oxatricyclo[5.2.1.02,6]decane]-3',5'-dione
CID 14781082
(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 98107604
(1'S,2'R,4'S,6'S)-3',3'-dibromospiro[1,3-dioxolane-2,7'-tricyclo[4.2.0.02,4]octane]
CID 135037744
spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]
CID 71430725
8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
CID 54499262
8-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386823
5'-(7,13-dioxaspiro[5.7]tridecan-10-yl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 166816982
8-prop-2-ynyltricyclo[5.2.1.02,6]decan-8-ol
CID 63222407

Frequently Asked Questions

What is the IUPAC name of (1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]?
The IUPAC name of (1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane] (CID 21116154) is (1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane].
What is the SMILES notation for (1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]?
The canonical SMILES for (1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane] is C1C[C@H]2[C@@H]3CC([C@H]2C1)C1(C3)OCCO1.
What is the InChIKey of (1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]?
The InChIKey is HIDQGLHUSVXEQZ-LCVSCUNMSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-9-8-6-11(10(9)3-1)12(7-8)13-4-5-14-12/h8-11H,1-7H2/t8-,9+,10+,11?/m1/s1.
What are the key properties of (1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]?
(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane] has a molecular weight of 194.27 g/mol, XLogP of 2.19, 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,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane] is sourced from PubChem (CID 21116154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).