(5,6-dimethyloxan-2-yl)methanol

C8H16O2 — CID 20600658

IUPAC(5,6-dimethyloxan-2-yl)methanol
SMILESCC1CCC(CO)OC1C
InChIInChI=1S/C8H16O2/c1-6-3-4-8(5-9)10-7(6)2/h6-9H,3-5H2,1-2H3
InChIKeyASGRKGHHCCNVKX-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds1

About (5,6-dimethyloxan-2-yl)methanol

(5,6-dimethyloxan-2-yl)methanol (PubChem CID 20600658) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (5,6-dimethyloxan-2-yl)methanol.

Molecular Properties

Compound Name(5,6-dimethyloxan-2-yl)methanol
PubChem CID20600658
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(5,6-dimethyloxan-2-yl)methanol
SMILESCC1CCC(CO)OC1C
InChIInChI=1S/C8H16O2/c1-6-3-4-8(5-9)10-7(6)2/h6-9H,3-5H2,1-2H3
InChIKeyASGRKGHHCCNVKX-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyloxan-2-yl)methanol?
The IUPAC name of (5,6-dimethyloxan-2-yl)methanol (CID 20600658) is (5,6-dimethyloxan-2-yl)methanol.
What is the SMILES notation for (5,6-dimethyloxan-2-yl)methanol?
The canonical SMILES for (5,6-dimethyloxan-2-yl)methanol is CC1CCC(CO)OC1C.
What is the InChIKey of (5,6-dimethyloxan-2-yl)methanol?
The InChIKey is ASGRKGHHCCNVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-3-4-8(5-9)10-7(6)2/h6-9H,3-5H2,1-2H3.
What are the key properties of (5,6-dimethyloxan-2-yl)methanol?
(5,6-dimethyloxan-2-yl)methanol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyloxan-2-yl)methanol is sourced from PubChem (CID 20600658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).