(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol

C12H18O3 — CID 11042022

IUPAC(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol
SMILESO[C@H]1C=CC[C@@]12CCCCC21OCCO1
InChIInChI=1S/C12H18O3/c13-10-4-3-6-11(10)5-1-2-7-12(11)14-8-9-15-12/h3-4,10,13H,1-2,5-9H2/t10-,11-/m0/s1
InChIKeyPGDWZBRCWRJUJJ-QWRGUYRKSA-N
MW210.27 g/mol
LogP1.61
Rot. Bonds

About (4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol

(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol (PubChem CID 11042022) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol.

Molecular Properties

Compound Name(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol
PubChem CID11042022
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol
SMILESO[C@H]1C=CC[C@@]12CCCCC21OCCO1
InChIInChI=1S/C12H18O3/c13-10-4-3-6-11(10)5-1-2-7-12(11)14-8-9-15-12/h3-4,10,13H,1-2,5-9H2/t10-,11-/m0/s1
InChIKeyPGDWZBRCWRJUJJ-QWRGUYRKSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1'S,3'aS,7'aR)-3'a-methylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydro-1H-indene]-1'-ol
CID 53243681
(E)-4-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)but-2-en-1-ol
CID 162407266
(6-Prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol
CID 10921811
(1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol
CID 10999996
(4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol
CID 11064077
(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[4.5]decan-6-yl]but-3-en-1-ol
CID 21596271
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl]prop-2-en-1-ol
CID 21596272
(6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol
CID 101140066
(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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol?
The IUPAC name of (4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol (CID 11042022) is (4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol.
What is the SMILES notation for (4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol?
The canonical SMILES for (4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol is O[C@H]1C=CC[C@@]12CCCCC21OCCO1.
What is the InChIKey of (4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol?
The InChIKey is PGDWZBRCWRJUJJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H18O3/c13-10-4-3-6-11(10)5-1-2-7-12(11)14-8-9-15-12/h3-4,10,13H,1-2,5-9H2/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol?
(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol has a molecular weight of 210.27 g/mol, XLogP of 1.61, 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[4.0.46.45]tetradec-2-en-4-ol is sourced from PubChem (CID 11042022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).