7-methyloxecan-3-ol

C10H20O2 — CID 123173412

IUPAC7-methyloxecan-3-ol
SMILESCC1CCCOCC(O)CCC1
InChIInChI=1S/C10H20O2/c1-9-4-2-6-10(11)8-12-7-3-5-9/h9-11H,2-8H2,1H3
InChIKeyXBQIOIQETJFXEG-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds

About 7-methyloxecan-3-ol

7-methyloxecan-3-ol (PubChem CID 123173412) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 7-methyloxecan-3-ol.

Molecular Properties

Compound Name7-methyloxecan-3-ol
PubChem CID123173412
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name7-methyloxecan-3-ol
SMILESCC1CCCOCC(O)CCC1
InChIInChI=1S/C10H20O2/c1-9-4-2-6-10(11)8-12-7-3-5-9/h9-11H,2-8H2,1H3
InChIKeyXBQIOIQETJFXEG-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyloxecan-3-ol?
The IUPAC name of 7-methyloxecan-3-ol (CID 123173412) is 7-methyloxecan-3-ol.
What is the SMILES notation for 7-methyloxecan-3-ol?
The canonical SMILES for 7-methyloxecan-3-ol is CC1CCCOCC(O)CCC1.
What is the InChIKey of 7-methyloxecan-3-ol?
The InChIKey is XBQIOIQETJFXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9-4-2-6-10(11)8-12-7-3-5-9/h9-11H,2-8H2,1H3.
What are the key properties of 7-methyloxecan-3-ol?
7-methyloxecan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloxecan-3-ol is sourced from PubChem (CID 123173412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).