(2,2,6,6-tetramethyloxan-4-yl)methanol

C10H20O2 — CID 67323065

IUPAC(2,2,6,6-tetramethyloxan-4-yl)methanol
SMILESCC1(C)CC(CO)CC(C)(C)O1
InChIInChI=1S/C10H20O2/c1-9(2)5-8(7-11)6-10(3,4)12-9/h8,11H,5-7H2,1-4H3
InChIKeyCRUHQSBSNGCXBO-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds1

About (2,2,6,6-tetramethyloxan-4-yl)methanol

(2,2,6,6-tetramethyloxan-4-yl)methanol (PubChem CID 67323065) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2,2,6,6-tetramethyloxan-4-yl)methanol.

Molecular Properties

Compound Name(2,2,6,6-tetramethyloxan-4-yl)methanol
PubChem CID67323065
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2,2,6,6-tetramethyloxan-4-yl)methanol
SMILESCC1(C)CC(CO)CC(C)(C)O1
InChIInChI=1S/C10H20O2/c1-9(2)5-8(7-11)6-10(3,4)12-9/h8,11H,5-7H2,1-4H3
InChIKeyCRUHQSBSNGCXBO-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyloxan-4-yl)methanol?
The IUPAC name of (2,2,6,6-tetramethyloxan-4-yl)methanol (CID 67323065) is (2,2,6,6-tetramethyloxan-4-yl)methanol.
What is the SMILES notation for (2,2,6,6-tetramethyloxan-4-yl)methanol?
The canonical SMILES for (2,2,6,6-tetramethyloxan-4-yl)methanol is CC1(C)CC(CO)CC(C)(C)O1.
What is the InChIKey of (2,2,6,6-tetramethyloxan-4-yl)methanol?
The InChIKey is CRUHQSBSNGCXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)5-8(7-11)6-10(3,4)12-9/h8,11H,5-7H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethyloxan-4-yl)methanol?
(2,2,6,6-tetramethyloxan-4-yl)methanol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyloxan-4-yl)methanol is sourced from PubChem (CID 67323065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).