2-(1-methylcyclopropyl)oxyethanol

C6H12O2 — CID 59557732

IUPAC2-(1-methylcyclopropyl)oxyethanol
SMILESCC1(OCCO)CC1
InChIInChI=1S/C6H12O2/c1-6(2-3-6)8-5-4-7/h7H,2-5H2,1H3
InChIKeyTYIFOPYCGBVBFC-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds3

About 2-(1-methylcyclopropyl)oxyethanol

2-(1-methylcyclopropyl)oxyethanol (PubChem CID 59557732) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)oxyethanol.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)oxyethanol
PubChem CID59557732
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-(1-methylcyclopropyl)oxyethanol
SMILESCC1(OCCO)CC1
InChIInChI=1S/C6H12O2/c1-6(2-3-6)8-5-4-7/h7H,2-5H2,1H3
InChIKeyTYIFOPYCGBVBFC-UHFFFAOYSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)oxyethanol?
The IUPAC name of 2-(1-methylcyclopropyl)oxyethanol (CID 59557732) is 2-(1-methylcyclopropyl)oxyethanol.
What is the SMILES notation for 2-(1-methylcyclopropyl)oxyethanol?
The canonical SMILES for 2-(1-methylcyclopropyl)oxyethanol is CC1(OCCO)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)oxyethanol?
The InChIKey is TYIFOPYCGBVBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2-3-6)8-5-4-7/h7H,2-5H2,1H3.
What are the key properties of 2-(1-methylcyclopropyl)oxyethanol?
2-(1-methylcyclopropyl)oxyethanol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)oxyethanol is sourced from PubChem (CID 59557732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).