(3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol

C13H20O3 — CID 11299058

IUPAC(3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol
SMILESO[C@]12CCC[C@@H]1CC/C=C\C1(C2)OCCO1
InChIInChI=1S/C13H20O3/c14-12-6-3-5-11(12)4-1-2-7-13(10-12)15-8-9-16-13/h2,7,11,14H,1,3-6,8-10H2/b7-2-/t11-,12-/m0/s1
InChIKeyZGECTXLYIKICQN-NNUSLRHZSA-N
MW224.30 g/mol
LogP2.00
Rot. Bonds

About (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol

(3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol (PubChem CID 11299058) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol.

Molecular Properties

Compound Name(3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol
PubChem CID11299058
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol
SMILESO[C@]12CCC[C@@H]1CC/C=C\C1(C2)OCCO1
InChIInChI=1S/C13H20O3/c14-12-6-3-5-11(12)4-1-2-7-13(10-12)15-8-9-16-13/h2,7,11,14H,1,3-6,8-10H2/b7-2-/t11-,12-/m0/s1
InChIKeyZGECTXLYIKICQN-NNUSLRHZSA-N
XLogP2.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol with MolForge

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Related Compounds

4-(1,4-Dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol
CID 10856443
(3'aS,7'aS)-3'-methylidenespiro[1,3-dioxolane-2,6'-2,3a,7,7a-tetrahydro-1H-indene]
CID 101207572

Frequently Asked Questions

What is the IUPAC name of (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol?
The IUPAC name of (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol (CID 11299058) is (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol.
What is the SMILES notation for (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol?
The canonical SMILES for (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol is O[C@]12CCC[C@@H]1CC/C=C\C1(C2)OCCO1.
What is the InChIKey of (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol?
The InChIKey is ZGECTXLYIKICQN-NNUSLRHZSA-N. The full InChI is InChI=1S/C13H20O3/c14-12-6-3-5-11(12)4-1-2-7-13(10-12)15-8-9-16-13/h2,7,11,14H,1,3-6,8-10H2/b7-2-/t11-,12-/m0/s1.
What are the key properties of (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol?
(3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol has a molecular weight of 224.30 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol is sourced from PubChem (CID 11299058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).