[3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol

C14H24O2 — CID 4550710

IUPAC[3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol
SMILESCC12CC3(C)CC(CO)(C1)CC(CO)(C2)C3
InChIInChI=1S/C14H24O2/c1-11-3-12(2)6-13(4-11,9-15)8-14(5-11,7-12)10-16/h15-16H,3-10H2,1-2H3
InChIKeyQTEXCNQLVLUGAN-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.34
Rot. Bonds2

About [3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol

[3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol (PubChem CID 4550710) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol
PubChem CID4550710
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol
SMILESCC12CC3(C)CC(CO)(C1)CC(CO)(C2)C3
InChIInChI=1S/C14H24O2/c1-11-3-12(2)6-13(4-11,9-15)8-14(5-11,7-12)10-16/h15-16H,3-10H2,1-2H3
InChIKeyQTEXCNQLVLUGAN-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol (CID 4550710) is [3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol is CC12CC3(C)CC(CO)(C1)CC(CO)(C2)C3.
What is the InChIKey of [3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol?
The InChIKey is QTEXCNQLVLUGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-3-12(2)6-13(4-11,9-15)8-14(5-11,7-12)10-16/h15-16H,3-10H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol?
[3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol has a molecular weight of 224.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5,7-dimethyl-1-adamantyl]methanol is sourced from PubChem (CID 4550710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).