(2S,3S)-3-ethyl-4-methylpentane-1,2-diol

C8H18O2 — CID 15101929

IUPAC(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
SMILESCC[C@@H](C(C)C)[C@H](O)CO
InChIInChI=1S/C8H18O2/c1-4-7(6(2)3)8(10)5-9/h6-10H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyZWQXMQXIOXUFGK-JGVFFNPUSA-N
MW146.23 g/mol
LogP1.02
Rot. Bonds4

About (2S,3S)-3-ethyl-4-methylpentane-1,2-diol

(2S,3S)-3-ethyl-4-methylpentane-1,2-diol (PubChem CID 15101929) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (2S,3S)-3-ethyl-4-methylpentane-1,2-diol.

Molecular Properties

Compound Name(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
PubChem CID15101929
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
SMILESCC[C@@H](C(C)C)[C@H](O)CO
InChIInChI=1S/C8H18O2/c1-4-7(6(2)3)8(10)5-9/h6-10H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyZWQXMQXIOXUFGK-JGVFFNPUSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-propan-2-ylbutane-1,2,4-triol
CID 10558771
3-methylbutane-1,2-diol;propane
CID 87383548
(2S)-2-propan-2-ylpentane-1,3-diol
CID 59911349
3-ethyl-2-methylheptan-4-ol
CID 23384905
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
2-propan-2-ylheptane-1,3,4,5-tetrol
CID 118683322
4-ethyl-2,5-dimethylhexan-3-ol
CID 79298861
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
pentane-1,2,3-triol
CID 547785
(2S,3S)-pentane-1,2,3-triol
CID 11636797
ethane-1,1-diol;ethanol;methane;propane
CID 161040342
2-ethyl-4-propan-2-ylpentane-1,3,5-triol
CID 118683289

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-ethyl-4-methylpentane-1,2-diol?
The IUPAC name of (2S,3S)-3-ethyl-4-methylpentane-1,2-diol (CID 15101929) is (2S,3S)-3-ethyl-4-methylpentane-1,2-diol.
What is the SMILES notation for (2S,3S)-3-ethyl-4-methylpentane-1,2-diol?
The canonical SMILES for (2S,3S)-3-ethyl-4-methylpentane-1,2-diol is CC[C@@H](C(C)C)[C@H](O)CO.
What is the InChIKey of (2S,3S)-3-ethyl-4-methylpentane-1,2-diol?
The InChIKey is ZWQXMQXIOXUFGK-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-7(6(2)3)8(10)5-9/h6-10H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2S,3S)-3-ethyl-4-methylpentane-1,2-diol?
(2S,3S)-3-ethyl-4-methylpentane-1,2-diol has a molecular weight of 146.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-ethyl-4-methylpentane-1,2-diol is sourced from PubChem (CID 15101929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).