(4-methyloxolan-3-yl)methanol

C6H12O2 — CID 53402099

IUPAC(4-methyloxolan-3-yl)methanol
SMILESCC1COCC1CO
InChIInChI=1S/C6H12O2/c1-5-3-8-4-6(5)2-7/h5-7H,2-4H2,1H3
InChIKeyQPINGVLALQINHU-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.26
Rot. Bonds1

About (4-methyloxolan-3-yl)methanol

(4-methyloxolan-3-yl)methanol (PubChem CID 53402099) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (4-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-methyloxolan-3-yl)methanol
PubChem CID53402099
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(4-methyloxolan-3-yl)methanol
SMILESCC1COCC1CO
InChIInChI=1S/C6H12O2/c1-5-3-8-4-6(5)2-7/h5-7H,2-4H2,1H3
InChIKeyQPINGVLALQINHU-UHFFFAOYSA-N
XLogP0.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyloxolan-3-yl)methanol?
The IUPAC name of (4-methyloxolan-3-yl)methanol (CID 53402099) is (4-methyloxolan-3-yl)methanol.
What is the SMILES notation for (4-methyloxolan-3-yl)methanol?
The canonical SMILES for (4-methyloxolan-3-yl)methanol is CC1COCC1CO.
What is the InChIKey of (4-methyloxolan-3-yl)methanol?
The InChIKey is QPINGVLALQINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-3-8-4-6(5)2-7/h5-7H,2-4H2,1H3.
What are the key properties of (4-methyloxolan-3-yl)methanol?
(4-methyloxolan-3-yl)methanol has a molecular weight of 116.16 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxolan-3-yl)methanol is sourced from PubChem (CID 53402099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).