(2,5-dipropyloxan-2-yl)methanol

C12H24O2 — CID 3020669

IUPAC(2,5-dipropyloxan-2-yl)methanol
SMILESCCCC1CCC(CO)(CCC)OC1
InChIInChI=1S/C12H24O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h11,13H,3-10H2,1-2H3
InChIKeyMQXJAGMQBSLYGZ-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds5

About (2,5-dipropyloxan-2-yl)methanol

(2,5-dipropyloxan-2-yl)methanol (PubChem CID 3020669) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2,5-dipropyloxan-2-yl)methanol.

Molecular Properties

Compound Name(2,5-dipropyloxan-2-yl)methanol
PubChem CID3020669
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2,5-dipropyloxan-2-yl)methanol
SMILESCCCC1CCC(CO)(CCC)OC1
InChIInChI=1S/C12H24O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h11,13H,3-10H2,1-2H3
InChIKeyMQXJAGMQBSLYGZ-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dipropyloxan-2-yl)methanol?
The IUPAC name of (2,5-dipropyloxan-2-yl)methanol (CID 3020669) is (2,5-dipropyloxan-2-yl)methanol.
What is the SMILES notation for (2,5-dipropyloxan-2-yl)methanol?
The canonical SMILES for (2,5-dipropyloxan-2-yl)methanol is CCCC1CCC(CO)(CCC)OC1.
What is the InChIKey of (2,5-dipropyloxan-2-yl)methanol?
The InChIKey is MQXJAGMQBSLYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h11,13H,3-10H2,1-2H3.
What are the key properties of (2,5-dipropyloxan-2-yl)methanol?
(2,5-dipropyloxan-2-yl)methanol has a molecular weight of 200.32 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 (2,5-dipropyloxan-2-yl)methanol is sourced from PubChem (CID 3020669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).