7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol

C15H32O6 — CID 57251180

IUPAC7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol
SMILESCC(O)CC(CCO)(CCO)CC(O)CC(C)(O)CCO
InChIInChI=1S/C15H32O6/c1-12(19)9-15(4-7-17,5-8-18)11-13(20)10-14(2,21)3-6-16/h12-13,16-21H,3-11H2,1-2H3
InChIKeyKFXSAAQHYYCESR-UHFFFAOYSA-N
MW308.42 g/mol
LogP-0.22
Rot. Bonds12

About 7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol

7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol (PubChem CID 57251180) has the molecular formula C15H32O6 and a molecular weight of 308.42 g/mol. Its IUPAC name is 7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol.

Molecular Properties

Compound Name7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol
PubChem CID57251180
Molecular FormulaC15H32O6
Molecular Weight308.42 g/mol
Exact Mass308.22
IUPAC Name7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol
SMILESCC(O)CC(CCO)(CCO)CC(O)CC(C)(O)CCO
InChIInChI=1S/C15H32O6/c1-12(19)9-15(4-7-17,5-8-18)11-13(20)10-14(2,21)3-6-16/h12-13,16-21H,3-11H2,1-2H3
InChIKeyKFXSAAQHYYCESR-UHFFFAOYSA-N
XLogP-0.22
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 5-0.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol?
The IUPAC name of 7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol (CID 57251180) is 7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol.
What is the SMILES notation for 7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol?
The canonical SMILES for 7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol is CC(O)CC(CCO)(CCO)CC(O)CC(C)(O)CCO.
What is the InChIKey of 7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol?
The InChIKey is KFXSAAQHYYCESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6/c1-12(19)9-15(4-7-17,5-8-18)11-13(20)10-14(2,21)3-6-16/h12-13,16-21H,3-11H2,1-2H3.
What are the key properties of 7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol?
7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol has a molecular weight of 308.42 g/mol, XLogP of -0.22, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(2-hydroxyethyl)-3-methyldecane-1,3,5,9-tetrol is sourced from PubChem (CID 57251180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).