[6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol

C13H24O2 — CID 91600943

IUPAC[6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol
SMILESCC1CCC(CO)OC1CCCC1CC1
InChIInChI=1S/C13H24O2/c1-10-5-8-12(9-14)15-13(10)4-2-3-11-6-7-11/h10-14H,2-9H2,1H3
InChIKeyFXQJHBBWMZVUJL-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds5

About [6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol

[6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol (PubChem CID 91600943) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol.

Molecular Properties

Compound Name[6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol
PubChem CID91600943
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol
SMILESCC1CCC(CO)OC1CCCC1CC1
InChIInChI=1S/C13H24O2/c1-10-5-8-12(9-14)15-13(10)4-2-3-11-6-7-11/h10-14H,2-9H2,1H3
InChIKeyFXQJHBBWMZVUJL-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol?
The IUPAC name of [6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol (CID 91600943) is [6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol.
What is the SMILES notation for [6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol?
The canonical SMILES for [6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol is CC1CCC(CO)OC1CCCC1CC1.
What is the InChIKey of [6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol?
The InChIKey is FXQJHBBWMZVUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10-5-8-12(9-14)15-13(10)4-2-3-11-6-7-11/h10-14H,2-9H2,1H3.
What are the key properties of [6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol?
[6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol has a molecular weight of 212.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropylpropyl)-5-methyloxan-2-yl]methanol is sourced from PubChem (CID 91600943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).