(3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol

C10H16O3 — CID 121410921

IUPAC(3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol
SMILESOC1COC2(C[C@H]3CCC[C@H]3C2)O1
InChIInChI=1S/C10H16O3/c11-9-6-12-10(13-9)4-7-2-1-3-8(7)5-10/h7-9,11H,1-6H2/t7-,8+,9?,10?
InChIKeyDGHSQUGPMOSBEC-BQKDNTBBSA-N
MW184.23 g/mol
LogP1.26
Rot. Bonds

About (3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol

(3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol (PubChem CID 121410921) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol.

Molecular Properties

Compound Name(3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol
PubChem CID121410921
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol
SMILESOC1COC2(C[C@H]3CCC[C@H]3C2)O1
InChIInChI=1S/C10H16O3/c11-9-6-12-10(13-9)4-7-2-1-3-8(7)5-10/h7-9,11H,1-6H2/t7-,8+,9?,10?
InChIKeyDGHSQUGPMOSBEC-BQKDNTBBSA-N
XLogP1.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol?
The IUPAC name of (3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol (CID 121410921) is (3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol.
What is the SMILES notation for (3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol?
The canonical SMILES for (3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol is OC1COC2(C[C@H]3CCC[C@H]3C2)O1.
What is the InChIKey of (3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol?
The InChIKey is DGHSQUGPMOSBEC-BQKDNTBBSA-N. The full InChI is InChI=1S/C10H16O3/c11-9-6-12-10(13-9)4-7-2-1-3-8(7)5-10/h7-9,11H,1-6H2/t7-,8+,9?,10?.
What are the key properties of (3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol?
(3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol has a molecular weight of 184.23 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-4-ol is sourced from PubChem (CID 121410921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).