(2-methyloxan-4-yl)methanol

C7H14O2 — CID 22235159

IUPAC(2-methyloxan-4-yl)methanol
SMILESCC1CC(CO)CCO1
InChIInChI=1S/C7H14O2/c1-6-4-7(5-8)2-3-9-6/h6-8H,2-5H2,1H3
InChIKeyGHJBUFCOONHXFD-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

About (2-methyloxan-4-yl)methanol

(2-methyloxan-4-yl)methanol (PubChem CID 22235159) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2-methyloxan-4-yl)methanol.

Molecular Properties

Compound Name(2-methyloxan-4-yl)methanol
PubChem CID22235159
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2-methyloxan-4-yl)methanol
SMILESCC1CC(CO)CCO1
InChIInChI=1S/C7H14O2/c1-6-4-7(5-8)2-3-9-6/h6-8H,2-5H2,1H3
InChIKeyGHJBUFCOONHXFD-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-4-yl)methanol?
The IUPAC name of (2-methyloxan-4-yl)methanol (CID 22235159) is (2-methyloxan-4-yl)methanol.
What is the SMILES notation for (2-methyloxan-4-yl)methanol?
The canonical SMILES for (2-methyloxan-4-yl)methanol is CC1CC(CO)CCO1.
What is the InChIKey of (2-methyloxan-4-yl)methanol?
The InChIKey is GHJBUFCOONHXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-6-4-7(5-8)2-3-9-6/h6-8H,2-5H2,1H3.
What are the key properties of (2-methyloxan-4-yl)methanol?
(2-methyloxan-4-yl)methanol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-4-yl)methanol is sourced from PubChem (CID 22235159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).