6-methylheptane-2,5-diol

C8H18O2 — CID 22323927

IUPAC6-methylheptane-2,5-diol
SMILESCC(O)CCC(O)C(C)C
InChIInChI=1S/C8H18O2/c1-6(2)8(10)5-4-7(3)9/h6-10H,4-5H2,1-3H3
InChIKeyMFBMFHMAWZBOEZ-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.16
Rot. Bonds4

About 6-methylheptane-2,5-diol

6-methylheptane-2,5-diol (PubChem CID 22323927) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 6-methylheptane-2,5-diol.

Molecular Properties

Compound Name6-methylheptane-2,5-diol
PubChem CID22323927
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name6-methylheptane-2,5-diol
SMILESCC(O)CCC(O)C(C)C
InChIInChI=1S/C8H18O2/c1-6(2)8(10)5-4-7(3)9/h6-10H,4-5H2,1-3H3
InChIKeyMFBMFHMAWZBOEZ-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylheptane-2,5-diol?
The IUPAC name of 6-methylheptane-2,5-diol (CID 22323927) is 6-methylheptane-2,5-diol.
What is the SMILES notation for 6-methylheptane-2,5-diol?
The canonical SMILES for 6-methylheptane-2,5-diol is CC(O)CCC(O)C(C)C.
What is the InChIKey of 6-methylheptane-2,5-diol?
The InChIKey is MFBMFHMAWZBOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-6(2)8(10)5-4-7(3)9/h6-10H,4-5H2,1-3H3.
What are the key properties of 6-methylheptane-2,5-diol?
6-methylheptane-2,5-diol has a molecular weight of 146.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptane-2,5-diol is sourced from PubChem (CID 22323927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).