3,7-dimethyloctane-1,4,7-triol

C10H22O3 — CID 122387915

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

About 3,7-dimethyloctane-1,4,7-triol

3,7-dimethyloctane-1,4,7-triol (PubChem CID 122387915) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 3,7-dimethyloctane-1,4,7-triol.

Molecular Properties

Compound Name3,7-dimethyloctane-1,4,7-triol
PubChem CID122387915
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name3,7-dimethyloctane-1,4,7-triol
SMILESCC(CCO)C(O)CCC(C)(C)O
InChIInChI=1S/C10H22O3/c1-8(5-7-11)9(12)4-6-10(2,3)13/h8-9,11-13H,4-7H2,1-3H3
InChIKeyDZFIOODZKBNZSC-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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Related Compounds

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3,4,8,8-tetramethylnonan-1-ol
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5,6-dimethylheptane-1,3,4,6-tetrol
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2,5-dimethylhexan-2-ol;ethene
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15-methylhexadecane-1,12,15-triol
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(5S)-2,6-dimethylhept-6-ene-2,5-diol
CID 11815994
(3R,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944797
5-amino-4-methylpentane-1,3-diol
CID 141480720
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
ethane-1,2-diol;3-methylbutane-1,3-diol
CID 174420399
3-methylhexane-1,4,5-triol
CID 90439662

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctane-1,4,7-triol?
The IUPAC name of 3,7-dimethyloctane-1,4,7-triol (CID 122387915) is 3,7-dimethyloctane-1,4,7-triol.
What is the SMILES notation for 3,7-dimethyloctane-1,4,7-triol?
The canonical SMILES for 3,7-dimethyloctane-1,4,7-triol is CC(CCO)C(O)CCC(C)(C)O.
What is the InChIKey of 3,7-dimethyloctane-1,4,7-triol?
The InChIKey is DZFIOODZKBNZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-8(5-7-11)9(12)4-6-10(2,3)13/h8-9,11-13H,4-7H2,1-3H3.
What are the key properties of 3,7-dimethyloctane-1,4,7-triol?
3,7-dimethyloctane-1,4,7-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-1,4,7-triol is sourced from PubChem (CID 122387915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).