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

C12H18O3 — CID 10899874

IUPAC(6S,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-WDEREUQCSA-N
MW210.27 g/mol
LogP1.61
Rot. Bonds

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

(6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol (PubChem CID 10899874) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol.

Molecular Properties

Compound Name(6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol
PubChem CID10899874
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(6S,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-WDEREUQCSA-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 (6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol?
The IUPAC name of (6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol (CID 10899874) is (6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol.
What is the SMILES notation for (6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol?
The canonical SMILES for (6S,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 (6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol?
The InChIKey is BWTNIVMRVPAKLY-WDEREUQCSA-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 (6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol?
(6S,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 (6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol is sourced from PubChem (CID 10899874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).