(6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol

C12H18O3 — CID 101140066

IUPAC(6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol
SMILESO[C@H]1CC=CC[C@]12CCCC21OCCO1
InChIInChI=1S/C12H18O3/c13-10-4-1-2-5-11(10)6-3-7-12(11)14-8-9-15-12/h1-2,10,13H,3-9H2/t10-,11-/m0/s1
InChIKeyBWTNIVMRVPAKLY-QWRGUYRKSA-N
MW210.27 g/mol
LogP1.61
Rot. Bonds

About (6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol

(6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol (PubChem CID 101140066) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol.

Molecular Properties

Compound Name(6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol
PubChem CID101140066
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol
SMILESO[C@H]1CC=CC[C@]12CCCC21OCCO1
InChIInChI=1S/C12H18O3/c13-10-4-1-2-5-11(10)6-3-7-12(11)14-8-9-15-12/h1-2,10,13H,3-9H2/t10-,11-/m0/s1
InChIKeyBWTNIVMRVPAKLY-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'}

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Frequently Asked Questions

What is the IUPAC name of (6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol?
The IUPAC name of (6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol (CID 101140066) is (6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol.
What is the SMILES notation for (6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol?
The canonical SMILES for (6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol is O[C@H]1CC=CC[C@]12CCCC21OCCO1.
What is the InChIKey of (6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol?
The InChIKey is BWTNIVMRVPAKLY-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H18O3/c13-10-4-1-2-5-11(10)6-3-7-12(11)14-8-9-15-12/h1-2,10,13H,3-9H2/t10-,11-/m0/s1.
What are the key properties of (6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol?
(6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-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 (6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol is sourced from PubChem (CID 101140066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).