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

C8H16O2 — CID 57000651

IUPAC(6,6-dimethyloxan-2-yl)methanol
SMILESCC1(C)CCCC(CO)O1
InChIInChI=1S/C8H16O2/c1-8(2)5-3-4-7(6-9)10-8/h7,9H,3-6H2,1-2H3
InChIKeyNYJHLGATPHUSKO-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.33
Rot. Bonds1

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

(6,6-dimethyloxan-2-yl)methanol (PubChem CID 57000651) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (6,6-dimethyloxan-2-yl)methanol.

Molecular Properties

Compound Name(6,6-dimethyloxan-2-yl)methanol
PubChem CID57000651
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(6,6-dimethyloxan-2-yl)methanol
SMILESCC1(C)CCCC(CO)O1
InChIInChI=1S/C8H16O2/c1-8(2)5-3-4-7(6-9)10-8/h7,9H,3-6H2,1-2H3
InChIKeyNYJHLGATPHUSKO-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyloxan-2-yl)methanol?
The IUPAC name of (6,6-dimethyloxan-2-yl)methanol (CID 57000651) is (6,6-dimethyloxan-2-yl)methanol.
What is the SMILES notation for (6,6-dimethyloxan-2-yl)methanol?
The canonical SMILES for (6,6-dimethyloxan-2-yl)methanol is CC1(C)CCCC(CO)O1.
What is the InChIKey of (6,6-dimethyloxan-2-yl)methanol?
The InChIKey is NYJHLGATPHUSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(2)5-3-4-7(6-9)10-8/h7,9H,3-6H2,1-2H3.
What are the key properties of (6,6-dimethyloxan-2-yl)methanol?
(6,6-dimethyloxan-2-yl)methanol has a molecular weight of 144.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyloxan-2-yl)methanol is sourced from PubChem (CID 57000651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).