(4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol

C13H20O3 — CID 11064077

IUPAC(4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol
SMILESO[C@H]1C=CC[C@@]12CCCCCC21OCCO1
InChIInChI=1S/C13H20O3/c14-11-5-4-7-12(11)6-2-1-3-8-13(12)15-9-10-16-13/h4-5,11,14H,1-3,6-10H2/t11-,12-/m0/s1
InChIKeyXHCDAGIFXAWMID-RYUDHWBXSA-N
MW224.30 g/mol
LogP2.00
Rot. Bonds

About (4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol

(4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol (PubChem CID 11064077) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol.

Molecular Properties

Compound Name(4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol
PubChem CID11064077
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol
SMILESO[C@H]1C=CC[C@@]12CCCCCC21OCCO1
InChIInChI=1S/C13H20O3/c14-11-5-4-7-12(11)6-2-1-3-8-13(12)15-9-10-16-13/h4-5,11,14H,1-3,6-10H2/t11-,12-/m0/s1
InChIKeyXHCDAGIFXAWMID-RYUDHWBXSA-N
XLogP2.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-Prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol
CID 10933192
(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol
CID 11042022
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol
CID 11107408
(6S,7S)-1,4-dioxadispiro[4.0.56.55]hexadec-9-en-7-ol
CID 11806696
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl]prop-2-en-1-ol
CID 21596272
(6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol
CID 101140067
(6R,7S)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol
CID 101140091
1-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)-2,2-dimethylpropan-1-ol
CID 101702210
(6R,7S)-1,4-dioxadispiro[4.0.66.45]hexadec-10-en-7-ol
CID 177475839
(4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol
CID 10867242
(6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol
CID 10868788
(4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol
CID 10910449

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol?
The IUPAC name of (4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol (CID 11064077) is (4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol.
What is the SMILES notation for (4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol?
The canonical SMILES for (4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol is O[C@H]1C=CC[C@@]12CCCCCC21OCCO1.
What is the InChIKey of (4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol?
The InChIKey is XHCDAGIFXAWMID-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H20O3/c14-11-5-4-7-12(11)6-2-1-3-8-13(12)15-9-10-16-13/h4-5,11,14H,1-3,6-10H2/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol?
(4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol has a molecular weight of 224.30 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol is sourced from PubChem (CID 11064077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).