4-ethyl-7-methylnonane-2,3-diol

C12H26O2 — CID 87743447

IUPAC4-ethyl-7-methylnonane-2,3-diol
SMILESCCC(C)CCC(CC)C(O)C(C)O
InChIInChI=1S/C12H26O2/c1-5-9(3)7-8-11(6-2)12(14)10(4)13/h9-14H,5-8H2,1-4H3
InChIKeyWOUPOFQIYREGLY-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.58
Rot. Bonds7

About 4-ethyl-7-methylnonane-2,3-diol

4-ethyl-7-methylnonane-2,3-diol (PubChem CID 87743447) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-ethyl-7-methylnonane-2,3-diol.

Molecular Properties

Compound Name4-ethyl-7-methylnonane-2,3-diol
PubChem CID87743447
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name4-ethyl-7-methylnonane-2,3-diol
SMILESCCC(C)CCC(CC)C(O)C(C)O
InChIInChI=1S/C12H26O2/c1-5-9(3)7-8-11(6-2)12(14)10(4)13/h9-14H,5-8H2,1-4H3
InChIKeyWOUPOFQIYREGLY-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methylnonane-2,3-diol?
The IUPAC name of 4-ethyl-7-methylnonane-2,3-diol (CID 87743447) is 4-ethyl-7-methylnonane-2,3-diol.
What is the SMILES notation for 4-ethyl-7-methylnonane-2,3-diol?
The canonical SMILES for 4-ethyl-7-methylnonane-2,3-diol is CCC(C)CCC(CC)C(O)C(C)O.
What is the InChIKey of 4-ethyl-7-methylnonane-2,3-diol?
The InChIKey is WOUPOFQIYREGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-9(3)7-8-11(6-2)12(14)10(4)13/h9-14H,5-8H2,1-4H3.
What are the key properties of 4-ethyl-7-methylnonane-2,3-diol?
4-ethyl-7-methylnonane-2,3-diol has a molecular weight of 202.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methylnonane-2,3-diol is sourced from PubChem (CID 87743447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).