3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol

C12H22O3 — CID 155931444

IUPAC3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol
SMILESOCCC[C@H]1CCOC2(CCCCC2)O1
InChIInChI=1S/C12H22O3/c13-9-4-5-11-6-10-14-12(15-11)7-2-1-3-8-12/h11,13H,1-10H2/t11-/m0/s1
InChIKeyCIOYIQSPOCTUPC-NSHDSACASA-N
MW214.30 g/mol
LogP2.22
Rot. Bonds3

About 3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol

3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol (PubChem CID 155931444) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol
PubChem CID155931444
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol
SMILESOCCC[C@H]1CCOC2(CCCCC2)O1
InChIInChI=1S/C12H22O3/c13-9-4-5-11-6-10-14-12(15-11)7-2-1-3-8-12/h11,13H,1-10H2/t11-/m0/s1
InChIKeyCIOYIQSPOCTUPC-NSHDSACASA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol?
The IUPAC name of 3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol (CID 155931444) is 3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol.
What is the SMILES notation for 3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol?
The canonical SMILES for 3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol is OCCC[C@H]1CCOC2(CCCCC2)O1.
What is the InChIKey of 3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol?
The InChIKey is CIOYIQSPOCTUPC-NSHDSACASA-N. The full InChI is InChI=1S/C12H22O3/c13-9-4-5-11-6-10-14-12(15-11)7-2-1-3-8-12/h11,13H,1-10H2/t11-/m0/s1.
What are the key properties of 3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol?
3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol is sourced from PubChem (CID 155931444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).