1-tricyclo[4.3.1.13,8]undecanylmethanol

C12H20O — CID 11836436

IUPAC1-tricyclo[4.3.1.13,8]undecanylmethanol
SMILESOCC12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C12H20O/c13-8-12-5-9-1-2-10(6-12)4-11(3-9)7-12/h9-11,13H,1-8H2
InChIKeyRKLUIOPJNMECGK-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.59
Rot. Bonds1

About 1-tricyclo[4.3.1.13,8]undecanylmethanol

1-tricyclo[4.3.1.13,8]undecanylmethanol (PubChem CID 11836436) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-tricyclo[4.3.1.13,8]undecanylmethanol.

Molecular Properties

Compound Name1-tricyclo[4.3.1.13,8]undecanylmethanol
PubChem CID11836436
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-tricyclo[4.3.1.13,8]undecanylmethanol
SMILESOCC12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C12H20O/c13-8-12-5-9-1-2-10(6-12)4-11(3-9)7-12/h9-11,13H,1-8H2
InChIKeyRKLUIOPJNMECGK-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 1-tricyclo[4.3.1.13,8]undecanylmethanol?
The IUPAC name of 1-tricyclo[4.3.1.13,8]undecanylmethanol (CID 11836436) is 1-tricyclo[4.3.1.13,8]undecanylmethanol.
What is the SMILES notation for 1-tricyclo[4.3.1.13,8]undecanylmethanol?
The canonical SMILES for 1-tricyclo[4.3.1.13,8]undecanylmethanol is OCC12CC3CCC(CC(C3)C1)C2.
What is the InChIKey of 1-tricyclo[4.3.1.13,8]undecanylmethanol?
The InChIKey is RKLUIOPJNMECGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c13-8-12-5-9-1-2-10(6-12)4-11(3-9)7-12/h9-11,13H,1-8H2.
What are the key properties of 1-tricyclo[4.3.1.13,8]undecanylmethanol?
1-tricyclo[4.3.1.13,8]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 1-tricyclo[4.3.1.13,8]undecanylmethanol is sourced from PubChem (CID 11836436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).