2-ethyl-4-propan-2-ylpentane-1,3,5-triol

C10H22O3 — CID 118683289

IUPAC2-ethyl-4-propan-2-ylpentane-1,3,5-triol
SMILESCCC(CO)C(O)C(CO)C(C)C
InChIInChI=1S/C10H22O3/c1-4-8(5-11)10(13)9(6-12)7(2)3/h7-13H,4-6H2,1-3H3
InChIKeyIHGMUQMOVZYZHS-UHFFFAOYSA-N
MW190.28 g/mol
LogP0.63
Rot. Bonds6

About 2-ethyl-4-propan-2-ylpentane-1,3,5-triol

2-ethyl-4-propan-2-ylpentane-1,3,5-triol (PubChem CID 118683289) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-ylpentane-1,3,5-triol.

Molecular Properties

Compound Name2-ethyl-4-propan-2-ylpentane-1,3,5-triol
PubChem CID118683289
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name2-ethyl-4-propan-2-ylpentane-1,3,5-triol
SMILESCCC(CO)C(O)C(CO)C(C)C
InChIInChI=1S/C10H22O3/c1-4-8(5-11)10(13)9(6-12)7(2)3/h7-13H,4-6H2,1-3H3
InChIKeyIHGMUQMOVZYZHS-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-ylheptane-1,3,4,5-tetrol
CID 118683322
(2S)-2-propan-2-ylpentane-1,3-diol
CID 59911349
(2S,3S)-2-ethylbutane-1,3-diol
CID 87152899
(2R,3R)-2-ethylbutane-1,3-diol
CID 130733536
(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
CID 15101929
(2S,3R)-3-propan-2-ylbutane-1,2,4-triol
CID 10558771
4-ethyl-2,5-dimethylhexan-3-ol
CID 79298861
2,3-diethyl-4-methylpentane-1,5-diol
CID 18956830
(2S,3R)-2-ethyl-4-methyl-3-sulfanylpentan-1-ol
CID 124931968
2-ethyl-3-methylhexane-1,5-diol
CID 137353593
4-methyl-2-propylpentane-1,3-diol
CID 176549638
3-methylbutane-1,2-diol;propane
CID 87383548

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-ylpentane-1,3,5-triol?
The IUPAC name of 2-ethyl-4-propan-2-ylpentane-1,3,5-triol (CID 118683289) is 2-ethyl-4-propan-2-ylpentane-1,3,5-triol.
What is the SMILES notation for 2-ethyl-4-propan-2-ylpentane-1,3,5-triol?
The canonical SMILES for 2-ethyl-4-propan-2-ylpentane-1,3,5-triol is CCC(CO)C(O)C(CO)C(C)C.
What is the InChIKey of 2-ethyl-4-propan-2-ylpentane-1,3,5-triol?
The InChIKey is IHGMUQMOVZYZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-4-8(5-11)10(13)9(6-12)7(2)3/h7-13H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-4-propan-2-ylpentane-1,3,5-triol?
2-ethyl-4-propan-2-ylpentane-1,3,5-triol has a molecular weight of 190.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-ylpentane-1,3,5-triol is sourced from PubChem (CID 118683289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).