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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Related Compounds

(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol
CID 131124362
[(1R,3S,6R,8S)-5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
CID 11031451
(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)methanol
CID 115013484
(1R,2R,5R)-bicyclo[3.1.0]hexan-2-ol
CID 124541760
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467
2-bicyclo[1.1.0]butanylmethanol
CID 73001174
[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol
CID 18389676
8-bicyclo[3.2.1]octanylmethanol
CID 115011380
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
(1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
CID 11412460
(3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol
CID 69428713
(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 25167508

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).