(1-ethoxycyclopropyl)methanol

C6H12O2 — CID 23345862

IUPAC(1-ethoxycyclopropyl)methanol
SMILESCCOC1(CO)CC1
InChIInChI=1S/C6H12O2/c1-2-8-6(5-7)3-4-6/h7H,2-5H2,1H3
InChIKeyYVMKPAHONQQZJO-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds3

About (1-ethoxycyclopropyl)methanol

(1-ethoxycyclopropyl)methanol (PubChem CID 23345862) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (1-ethoxycyclopropyl)methanol.

Molecular Properties

Compound Name(1-ethoxycyclopropyl)methanol
PubChem CID23345862
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(1-ethoxycyclopropyl)methanol
SMILESCCOC1(CO)CC1
InChIInChI=1S/C6H12O2/c1-2-8-6(5-7)3-4-6/h7H,2-5H2,1H3
InChIKeyYVMKPAHONQQZJO-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 (1-ethoxycyclopropyl)methanol?
The IUPAC name of (1-ethoxycyclopropyl)methanol (CID 23345862) is (1-ethoxycyclopropyl)methanol.
What is the SMILES notation for (1-ethoxycyclopropyl)methanol?
The canonical SMILES for (1-ethoxycyclopropyl)methanol is CCOC1(CO)CC1.
What is the InChIKey of (1-ethoxycyclopropyl)methanol?
The InChIKey is YVMKPAHONQQZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-8-6(5-7)3-4-6/h7H,2-5H2,1H3.
What are the key properties of (1-ethoxycyclopropyl)methanol?
(1-ethoxycyclopropyl)methanol 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 (1-ethoxycyclopropyl)methanol is sourced from PubChem (CID 23345862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).