(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]

C11H18O2 — CID 89101057

IUPAC(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
SMILESC1CCC2(CC1)O[C@H]1CCC[C@H]1O2
InChIInChI=1S/C11H18O2/c1-2-7-11(8-3-1)12-9-5-4-6-10(9)13-11/h9-10H,1-8H2/t9-,10+
InChIKeyQVGDBOSPIAFNSS-AOOOYVTPSA-N
MW182.26 g/mol
LogP2.61
Rot. Bonds

About (3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]

(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] (PubChem CID 89101057) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane].

Molecular Properties

Compound Name(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
PubChem CID89101057
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
SMILESC1CCC2(CC1)O[C@H]1CCC[C@H]1O2
InChIInChI=1S/C11H18O2/c1-2-7-11(8-3-1)12-9-5-4-6-10(9)13-11/h9-10H,1-8H2/t9-,10+
InChIKeyQVGDBOSPIAFNSS-AOOOYVTPSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]?
The IUPAC name of (3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] (CID 89101057) is (3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane].
What is the SMILES notation for (3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]?
The canonical SMILES for (3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] is C1CCC2(CC1)O[C@H]1CCC[C@H]1O2.
What is the InChIKey of (3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]?
The InChIKey is QVGDBOSPIAFNSS-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-7-11(8-3-1)12-9-5-4-6-10(9)13-11/h9-10H,1-8H2/t9-,10+.
What are the key properties of (3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]?
(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] has a molecular weight of 182.26 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane] is sourced from PubChem (CID 89101057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).