[3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol

C13H22O2 — CID 68890871

IUPAC[3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol
SMILESCC12CC3CC(CO)(C1)CC(CO)(C3)C2
InChIInChI=1S/C13H22O2/c1-11-2-10-3-12(5-11,8-14)7-13(4-10,6-11)9-15/h10,14-15H,2-9H2,1H3
InChIKeyDSTGPEVUCGHFFC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.95
Rot. Bonds2

About [3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol

[3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol (PubChem CID 68890871) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol
PubChem CID68890871
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name[3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol
SMILESCC12CC3CC(CO)(C1)CC(CO)(C3)C2
InChIInChI=1S/C13H22O2/c1-11-2-10-3-12(5-11,8-14)7-13(4-10,6-11)9-15/h10,14-15H,2-9H2,1H3
InChIKeyDSTGPEVUCGHFFC-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol (CID 68890871) is [3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol is CC12CC3CC(CO)(C1)CC(CO)(C3)C2.
What is the InChIKey of [3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol?
The InChIKey is DSTGPEVUCGHFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11-2-10-3-12(5-11,8-14)7-13(4-10,6-11)9-15/h10,14-15H,2-9H2,1H3.
What are the key properties of [3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol?
[3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol has a molecular weight of 210.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5-methyl-1-adamantyl]methanol is sourced from PubChem (CID 68890871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).