2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol

C15H26O2 — CID 610068

IUPAC2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol
SMILESCC1CCC2(C)C3(C)CCC(CC13)C2(O)CO
InChIInChI=1S/C15H26O2/c1-10-4-7-14(3)13(2)6-5-11(8-12(10)13)15(14,17)9-16/h10-12,16-17H,4-9H2,1-3H3
InChIKeyGXIANPKKUSLVEE-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.58
Rot. Bonds1

About 2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol

2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol (PubChem CID 610068) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol
PubChem CID610068
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol
SMILESCC1CCC2(C)C3(C)CCC(CC13)C2(O)CO
InChIInChI=1S/C15H26O2/c1-10-4-7-14(3)13(2)6-5-11(8-12(10)13)15(14,17)9-16/h10-12,16-17H,4-9H2,1-3H3
InChIKeyGXIANPKKUSLVEE-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol?
The IUPAC name of 2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol (CID 610068) is 2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol?
The canonical SMILES for 2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol is CC1CCC2(C)C3(C)CCC(CC13)C2(O)CO.
What is the InChIKey of 2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol?
The InChIKey is GXIANPKKUSLVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-4-7-14(3)13(2)6-5-11(8-12(10)13)15(14,17)9-16/h10-12,16-17H,4-9H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol?
2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,6,8-trimethyltricyclo[5.3.1.03,8]undecan-2-ol is sourced from PubChem (CID 610068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).