ethane;2-ethyl-3-methylbutane-1,2-diol

C9H22O2 — CID 143778282

IUPACethane;2-ethyl-3-methylbutane-1,2-diol
SMILESCC.CCC(O)(CO)C(C)C
InChIInChI=1S/C7H16O2.C2H6/c1-4-7(9,5-8)6(2)3;1-2/h6,8-9H,4-5H2,1-3H3;1-2H3
InChIKeyUWLQVKBVOJLOSU-UHFFFAOYSA-N
MW162.27 g/mol
LogP1.80
Rot. Bonds3

About ethane;2-ethyl-3-methylbutane-1,2-diol

ethane;2-ethyl-3-methylbutane-1,2-diol (PubChem CID 143778282) has the molecular formula C9H22O2 and a molecular weight of 162.27 g/mol. Its IUPAC name is ethane;2-ethyl-3-methylbutane-1,2-diol.

Molecular Properties

Compound Nameethane;2-ethyl-3-methylbutane-1,2-diol
PubChem CID143778282
Molecular FormulaC9H22O2
Molecular Weight162.27 g/mol
Exact Mass162.16
IUPAC Nameethane;2-ethyl-3-methylbutane-1,2-diol
SMILESCC.CCC(O)(CO)C(C)C
InChIInChI=1S/C7H16O2.C2H6/c1-4-7(9,5-8)6(2)3;1-2/h6,8-9H,4-5H2,1-3H3;1-2H3
InChIKeyUWLQVKBVOJLOSU-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-ethylpropane-1,2,3-triol
CID 118051862
2-ethylpentane-1,2,3,4,5-pentol
CID 118685855
2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol
CID 114997202
3-ethyl-2,5,6,6-tetramethylheptan-3-ol
CID 156689233
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
3-ethyl-2-methylnonan-3-ol
CID 65146597
2-methyl-3-[(2-methylpropylamino)methyl]pentan-3-ol
CID 114997755
2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)
CID 173331199
2-methylpentane-3,3-diol
CID 87103548
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
3-ethyl-3-hydroxy-2-methylpentanoic acid
CID 13460237
3,3-diethyl-2-methylpentane;ethane
CID 163394660

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3-methylbutane-1,2-diol?
The IUPAC name of ethane;2-ethyl-3-methylbutane-1,2-diol (CID 143778282) is ethane;2-ethyl-3-methylbutane-1,2-diol.
What is the SMILES notation for ethane;2-ethyl-3-methylbutane-1,2-diol?
The canonical SMILES for ethane;2-ethyl-3-methylbutane-1,2-diol is CC.CCC(O)(CO)C(C)C.
What is the InChIKey of ethane;2-ethyl-3-methylbutane-1,2-diol?
The InChIKey is UWLQVKBVOJLOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C2H6/c1-4-7(9,5-8)6(2)3;1-2/h6,8-9H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-3-methylbutane-1,2-diol?
ethane;2-ethyl-3-methylbutane-1,2-diol has a molecular weight of 162.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3-methylbutane-1,2-diol is sourced from PubChem (CID 143778282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).