3-tricyclo[5.3.1.03,8]undecanylmethanol

C12H20O — CID 511461

IUPAC3-tricyclo[5.3.1.03,8]undecanylmethanol
SMILESOCC12CCCC3CC(CCC31)C2
InChIInChI=1S/C12H20O/c13-8-12-5-1-2-10-6-9(7-12)3-4-11(10)12/h9-11,13H,1-8H2
InChIKeyUKVUHGGTSTXOOF-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.59
Rot. Bonds1

About 3-tricyclo[5.3.1.03,8]undecanylmethanol

3-tricyclo[5.3.1.03,8]undecanylmethanol (PubChem CID 511461) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-tricyclo[5.3.1.03,8]undecanylmethanol.

Molecular Properties

Compound Name3-tricyclo[5.3.1.03,8]undecanylmethanol
PubChem CID511461
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-tricyclo[5.3.1.03,8]undecanylmethanol
SMILESOCC12CCCC3CC(CCC31)C2
InChIInChI=1S/C12H20O/c13-8-12-5-1-2-10-6-9(7-12)3-4-11(10)12/h9-11,13H,1-8H2
InChIKeyUKVUHGGTSTXOOF-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tricyclo[5.3.1.03,8]undecanylmethanol?
The IUPAC name of 3-tricyclo[5.3.1.03,8]undecanylmethanol (CID 511461) is 3-tricyclo[5.3.1.03,8]undecanylmethanol.
What is the SMILES notation for 3-tricyclo[5.3.1.03,8]undecanylmethanol?
The canonical SMILES for 3-tricyclo[5.3.1.03,8]undecanylmethanol is OCC12CCCC3CC(CCC31)C2.
What is the InChIKey of 3-tricyclo[5.3.1.03,8]undecanylmethanol?
The InChIKey is UKVUHGGTSTXOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c13-8-12-5-1-2-10-6-9(7-12)3-4-11(10)12/h9-11,13H,1-8H2.
What are the key properties of 3-tricyclo[5.3.1.03,8]undecanylmethanol?
3-tricyclo[5.3.1.03,8]undecanylmethanol has a molecular weight of 180.29 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tricyclo[5.3.1.03,8]undecanylmethanol is sourced from PubChem (CID 511461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).