(6,6-dimethyloxan-3-yl)methanol

C8H16O2 — CID 90305495

IUPAC(6,6-dimethyloxan-3-yl)methanol
SMILESCC1(C)CCC(CO)CO1
InChIInChI=1S/C8H16O2/c1-8(2)4-3-7(5-9)6-10-8/h7,9H,3-6H2,1-2H3
InChIKeyCPDLBOILZQRZEX-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds1

About (6,6-dimethyloxan-3-yl)methanol

(6,6-dimethyloxan-3-yl)methanol (PubChem CID 90305495) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (6,6-dimethyloxan-3-yl)methanol.

Molecular Properties

Compound Name(6,6-dimethyloxan-3-yl)methanol
PubChem CID90305495
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(6,6-dimethyloxan-3-yl)methanol
SMILESCC1(C)CCC(CO)CO1
InChIInChI=1S/C8H16O2/c1-8(2)4-3-7(5-9)6-10-8/h7,9H,3-6H2,1-2H3
InChIKeyCPDLBOILZQRZEX-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

Analyze (6,6-dimethyloxan-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2-Dimethyloxan-4-yl)methanol
CID 51072184
{1-Methyl-2-oxabicyclo[3.1.1]heptan-4-yl}methanol
CID 155978195
2,2-Dimethyl-4-ethyl-4-tetrahydropyranol
CID 12430717
6-Ethoxy-2-methylhexan-2-ol
CID 264228
2,2,4-Trimethyloxan-4-ol
CID 10975607
2,2-Dimethyl-4-propan-2-yloxan-4-ol
CID 64138436
3-Methyl-2-(oxan-4-yl)butan-1-ol
CID 84065172
2,6-Dimethyltetrahydropyran-3-carbinol
CID 129888438
4-[(2S)-2-(hydroxymethyl)-1,4-dioxan-2-yl]butan-1-ol
CID 132517063
4-[(2-Methyloxiran-2-yl)methyl]oxan-4-ol
CID 135064150
(4R,5R)-2,2,5-trimethyloxan-4-ol
CID 12288891
2,5-Dimethylhexane-1,5-diol
CID 17945966

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyloxan-3-yl)methanol?
The IUPAC name of (6,6-dimethyloxan-3-yl)methanol (CID 90305495) is (6,6-dimethyloxan-3-yl)methanol.
What is the SMILES notation for (6,6-dimethyloxan-3-yl)methanol?
The canonical SMILES for (6,6-dimethyloxan-3-yl)methanol is CC1(C)CCC(CO)CO1.
What is the InChIKey of (6,6-dimethyloxan-3-yl)methanol?
The InChIKey is CPDLBOILZQRZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(2)4-3-7(5-9)6-10-8/h7,9H,3-6H2,1-2H3.
What are the key properties of (6,6-dimethyloxan-3-yl)methanol?
(6,6-dimethyloxan-3-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 (6,6-dimethyloxan-3-yl)methanol is sourced from PubChem (CID 90305495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).