(3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol

C9H14O3 — CID 149320064

IUPAC(3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol
SMILESO[C@@H]1COC2C1COCC21CC1
InChIInChI=1S/C9H14O3/c10-7-4-12-8-6(7)3-11-5-9(8)1-2-9/h6-8,10H,1-5H2/t6?,7-,8?/m1/s1
InChIKeyYAHDCFKUPXTENN-ZUEIMRROSA-N
MW170.21 g/mol
LogP0.17
Rot. Bonds

About (3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol

(3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol (PubChem CID 149320064) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol.

Molecular Properties

Compound Name(3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol
PubChem CID149320064
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol
SMILESO[C@@H]1COC2C1COCC21CC1
InChIInChI=1S/C9H14O3/c10-7-4-12-8-6(7)3-11-5-9(8)1-2-9/h6-8,10H,1-5H2/t6?,7-,8?/m1/s1
InChIKeyYAHDCFKUPXTENN-ZUEIMRROSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol?
The IUPAC name of (3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol (CID 149320064) is (3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol.
What is the SMILES notation for (3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol?
The canonical SMILES for (3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol is O[C@@H]1COC2C1COCC21CC1.
What is the InChIKey of (3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol?
The InChIKey is YAHDCFKUPXTENN-ZUEIMRROSA-N. The full InChI is InChI=1S/C9H14O3/c10-7-4-12-8-6(7)3-11-5-9(8)1-2-9/h6-8,10H,1-5H2/t6?,7-,8?/m1/s1.
What are the key properties of (3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol?
(3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol has a molecular weight of 170.21 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-spiro[2,3,3a,4,6,7a-hexahydrofuro[3,2-c]pyran-7,1'-cyclopropane]-3-ol is sourced from PubChem (CID 149320064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).