3,7-dimethyloctane-1,2,3-triol

C10H22O3 — CID 23390930

IUPAC3,7-dimethyloctane-1,2,3-triol
SMILESCC(C)CCCC(C)(O)C(O)CO
InChIInChI=1S/C10H22O3/c1-8(2)5-4-6-10(3,13)9(12)7-11/h8-9,11-13H,4-7H2,1-3H3
InChIKeyAXSMBYNAYXIVCP-UHFFFAOYSA-N
MW190.28 g/mol
LogP0.92
Rot. Bonds6

About 3,7-dimethyloctane-1,2,3-triol

3,7-dimethyloctane-1,2,3-triol (PubChem CID 23390930) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 3,7-dimethyloctane-1,2,3-triol.

Molecular Properties

Compound Name3,7-dimethyloctane-1,2,3-triol
PubChem CID23390930
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name3,7-dimethyloctane-1,2,3-triol
SMILESCC(C)CCCC(C)(O)C(O)CO
InChIInChI=1S/C10H22O3/c1-8(2)5-4-6-10(3,13)9(12)7-11/h8-9,11-13H,4-7H2,1-3H3
InChIKeyAXSMBYNAYXIVCP-UHFFFAOYSA-N
XLogP0.92
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctane-1,2,3-triol?
The IUPAC name of 3,7-dimethyloctane-1,2,3-triol (CID 23390930) is 3,7-dimethyloctane-1,2,3-triol.
What is the SMILES notation for 3,7-dimethyloctane-1,2,3-triol?
The canonical SMILES for 3,7-dimethyloctane-1,2,3-triol is CC(C)CCCC(C)(O)C(O)CO.
What is the InChIKey of 3,7-dimethyloctane-1,2,3-triol?
The InChIKey is AXSMBYNAYXIVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-8(2)5-4-6-10(3,13)9(12)7-11/h8-9,11-13H,4-7H2,1-3H3.
What are the key properties of 3,7-dimethyloctane-1,2,3-triol?
3,7-dimethyloctane-1,2,3-triol has a molecular weight of 190.28 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctane-1,2,3-triol is sourced from PubChem (CID 23390930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).