(4-methyloxan-4-yl)methanol

C7H14O2 — CID 59708470

IUPAC(4-methyloxan-4-yl)methanol
SMILESCC1(CO)CCOCC1
InChIInChI=1S/C7H14O2/c1-7(6-8)2-4-9-5-3-7/h8H,2-6H2,1H3
InChIKeyHKNGCILTDHGUEO-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.80
Rot. Bonds1

About (4-methyloxan-4-yl)methanol

(4-methyloxan-4-yl)methanol (PubChem CID 59708470) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (4-methyloxan-4-yl)methanol.

Molecular Properties

Compound Name(4-methyloxan-4-yl)methanol
PubChem CID59708470
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(4-methyloxan-4-yl)methanol
SMILESCC1(CO)CCOCC1
InChIInChI=1S/C7H14O2/c1-7(6-8)2-4-9-5-3-7/h8H,2-6H2,1H3
InChIKeyHKNGCILTDHGUEO-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-4-yl)methanol?
The IUPAC name of (4-methyloxan-4-yl)methanol (CID 59708470) is (4-methyloxan-4-yl)methanol.
What is the SMILES notation for (4-methyloxan-4-yl)methanol?
The canonical SMILES for (4-methyloxan-4-yl)methanol is CC1(CO)CCOCC1.
What is the InChIKey of (4-methyloxan-4-yl)methanol?
The InChIKey is HKNGCILTDHGUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(6-8)2-4-9-5-3-7/h8H,2-6H2,1H3.
What are the key properties of (4-methyloxan-4-yl)methanol?
(4-methyloxan-4-yl)methanol has a molecular weight of 130.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-4-yl)methanol is sourced from PubChem (CID 59708470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).