2-(2-methoxyethyl)hexan-1-ol

C9H20O2 — CID 542271

IUPAC2-(2-methoxyethyl)hexan-1-ol
SMILESCCCCC(CO)CCOC
InChIInChI=1S/C9H20O2/c1-3-4-5-9(8-10)6-7-11-2/h9-10H,3-8H2,1-2H3
InChIKeyFQWOXVAQRPFCTE-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds7

About 2-(2-methoxyethyl)hexan-1-ol

2-(2-methoxyethyl)hexan-1-ol (PubChem CID 542271) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(2-methoxyethyl)hexan-1-ol.

Molecular Properties

Compound Name2-(2-methoxyethyl)hexan-1-ol
PubChem CID542271
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2-(2-methoxyethyl)hexan-1-ol
SMILESCCCCC(CO)CCOC
InChIInChI=1S/C9H20O2/c1-3-4-5-9(8-10)6-7-11-2/h9-10H,3-8H2,1-2H3
InChIKeyFQWOXVAQRPFCTE-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)hexan-1-ol?
The IUPAC name of 2-(2-methoxyethyl)hexan-1-ol (CID 542271) is 2-(2-methoxyethyl)hexan-1-ol.
What is the SMILES notation for 2-(2-methoxyethyl)hexan-1-ol?
The canonical SMILES for 2-(2-methoxyethyl)hexan-1-ol is CCCCC(CO)CCOC.
What is the InChIKey of 2-(2-methoxyethyl)hexan-1-ol?
The InChIKey is FQWOXVAQRPFCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-4-5-9(8-10)6-7-11-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)hexan-1-ol?
2-(2-methoxyethyl)hexan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)hexan-1-ol is sourced from PubChem (CID 542271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).