5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol

C11H18O2 — CID 556377

IUPAC5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol
SMILESOCC1C(O)C2CC3CCC2CC31
InChIInChI=1S/C11H18O2/c12-5-10-8-3-7-2-1-6(8)4-9(7)11(10)13/h6-13H,1-5H2
InChIKeyBSDUAYZUNJXTAM-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.02
Rot. Bonds1

About 5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol

5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol (PubChem CID 556377) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol
PubChem CID556377
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol
SMILESOCC1C(O)C2CC3CCC2CC31
InChIInChI=1S/C11H18O2/c12-5-10-8-3-7-2-1-6(8)4-9(7)11(10)13/h6-13H,1-5H2
InChIKeyBSDUAYZUNJXTAM-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol?
The IUPAC name of 5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol (CID 556377) is 5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol.
What is the SMILES notation for 5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol?
The canonical SMILES for 5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol is OCC1C(O)C2CC3CCC2CC31.
What is the InChIKey of 5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol?
The InChIKey is BSDUAYZUNJXTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-5-10-8-3-7-2-1-6(8)4-9(7)11(10)13/h6-13H,1-5H2.
What are the key properties of 5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol?
5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol has a molecular weight of 182.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol is sourced from PubChem (CID 556377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).