[(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol

C10H16O3 — CID 129273949

IUPAC[(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol
SMILESOCC1O[C@H]2CC/C=C\CC[C@H]2O1
InChIInChI=1S/C10H16O3/c11-7-10-12-8-5-3-1-2-4-6-9(8)13-10/h1-2,8-11H,3-7H2/b2-1-/t8-,9+,10?
InChIKeyOSFDTPHYUKRACT-RLWGHQLRSA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds1

About [(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol

[(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol (PubChem CID 129273949) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol.

Molecular Properties

Compound Name[(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol
PubChem CID129273949
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol
SMILESOCC1O[C@H]2CC/C=C\CC[C@H]2O1
InChIInChI=1S/C10H16O3/c11-7-10-12-8-5-3-1-2-4-6-9(8)13-10/h1-2,8-11H,3-7H2/b2-1-/t8-,9+,10?
InChIKeyOSFDTPHYUKRACT-RLWGHQLRSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol?
The IUPAC name of [(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol (CID 129273949) is [(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol.
What is the SMILES notation for [(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol?
The canonical SMILES for [(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol is OCC1O[C@H]2CC/C=C\CC[C@H]2O1.
What is the InChIKey of [(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol?
The InChIKey is OSFDTPHYUKRACT-RLWGHQLRSA-N. The full InChI is InChI=1S/C10H16O3/c11-7-10-12-8-5-3-1-2-4-6-9(8)13-10/h1-2,8-11H,3-7H2/b2-1-/t8-,9+,10?.
What are the key properties of [(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol?
[(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol has a molecular weight of 184.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6E,9aS)-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxol-2-yl]methanol is sourced from PubChem (CID 129273949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).