1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol

C9H16O2 — CID 123204743

IUPAC1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol
SMILESOCC12CC(O)CCC(C1)C2
InChIInChI=1S/C9H16O2/c10-6-9-3-7(4-9)1-2-8(11)5-9/h7-8,10-11H,1-6H2
InChIKeySWSKHVMRKCWOAK-UHFFFAOYSA-N
MW156.22 g/mol
LogP0.92
Rot. Bonds1

About 1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol

1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol (PubChem CID 123204743) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol
PubChem CID123204743
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol
SMILESOCC12CC(O)CCC(C1)C2
InChIInChI=1S/C9H16O2/c10-6-9-3-7(4-9)1-2-8(11)5-9/h7-8,10-11H,1-6H2
InChIKeySWSKHVMRKCWOAK-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
CID 6974562
1-adamantylmethanol;hydrochloride
CID 141053946
[5-(hydroxymethyl)-2-adamantyl]methanol
CID 123735140
[(3S,5S)-3,5-dimethyl-1-adamantyl]methanol
CID 98043737
2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol
CID 853564
(4S,6S)-4-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-6-ol
CID 134970585
cyclohexane-1,4-diol
CID 11162
1-(hydroxymethyl)cyclooctane-1,5-diol
CID 11816153
3-(1-bicyclo[2.2.1]heptanyl)propanoic acid
CID 70398631
2,5-dihydroxycyclohexane-1,1-dicarboxylic acid
CID 150758409
2-oxabicyclo[2.2.2]octan-4-ylmethanol
CID 135392871
3-(cyclopropylamino)-3-(hydroxymethyl)cyclopentan-1-ol
CID 164644074

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol?
The IUPAC name of 1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol (CID 123204743) is 1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol.
What is the SMILES notation for 1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol?
The canonical SMILES for 1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol is OCC12CC(O)CCC(C1)C2.
What is the InChIKey of 1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol?
The InChIKey is SWSKHVMRKCWOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-6-9-3-7(4-9)1-2-8(11)5-9/h7-8,10-11H,1-6H2.
What are the key properties of 1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol?
1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol has a molecular weight of 156.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol is sourced from PubChem (CID 123204743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).