(1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol

C9H14O3 — CID 129304451

IUPAC(1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
SMILESOC1CC2[C@H](C1)CC21OCCO1
InChIInChI=1S/C9H14O3/c10-7-3-6-5-9(8(6)4-7)11-1-2-12-9/h6-8,10H,1-5H2/t6-,7?,8?/m1/s1
InChIKeyXVSPKIVWHJLOIJ-JECWYVHBSA-N
MW170.21 g/mol
LogP0.52
Rot. Bonds

About (1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol

(1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol (PubChem CID 129304451) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol.

Molecular Properties

Compound Name(1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
PubChem CID129304451
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol
SMILESOC1CC2[C@H](C1)CC21OCCO1
InChIInChI=1S/C9H14O3/c10-7-3-6-5-9(8(6)4-7)11-1-2-12-9/h6-8,10H,1-5H2/t6-,7?,8?/m1/s1
InChIKeyXVSPKIVWHJLOIJ-JECWYVHBSA-N
XLogP0.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
The IUPAC name of (1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol (CID 129304451) is (1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol.
What is the SMILES notation for (1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
The canonical SMILES for (1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol is OC1CC2[C@H](C1)CC21OCCO1.
What is the InChIKey of (1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
The InChIKey is XVSPKIVWHJLOIJ-JECWYVHBSA-N. The full InChI is InChI=1S/C9H14O3/c10-7-3-6-5-9(8(6)4-7)11-1-2-12-9/h6-8,10H,1-5H2/t6-,7?,8?/m1/s1.
What are the key properties of (1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol?
(1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol has a molecular weight of 170.21 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R)-spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-3'-ol is sourced from PubChem (CID 129304451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).