8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol

C11H18O2 — CID 86222995

IUPAC8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol
SMILESOCC12CC=CCC1(O)CCCC2
InChIInChI=1S/C11H18O2/c12-9-10-5-1-3-7-11(10,13)8-4-2-6-10/h1,3,12-13H,2,4-9H2
InChIKeyGEHCRTISGRNRNP-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.62
Rot. Bonds1

About 8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol

8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol (PubChem CID 86222995) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol.

Molecular Properties

Compound Name8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol
PubChem CID86222995
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol
SMILESOCC12CC=CCC1(O)CCCC2
InChIInChI=1S/C11H18O2/c12-9-10-5-1-3-7-11(10,13)8-4-2-6-10/h1,3,12-13H,2,4-9H2
InChIKeyGEHCRTISGRNRNP-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 84764269
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CID 79128633
1-(1-hydroxycyclopentyl)cycloheptan-1-ol
CID 10081454
[1-(2,2,2-trifluoroethyl)cyclopentyl]methanol
CID 131010290
[3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol
CID 169291221
1,2-bis(hydroxymethyl)cyclohexane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol?
The IUPAC name of 8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol (CID 86222995) is 8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol.
What is the SMILES notation for 8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol?
The canonical SMILES for 8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol is OCC12CC=CCC1(O)CCCC2.
What is the InChIKey of 8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol?
The InChIKey is GEHCRTISGRNRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-9-10-5-1-3-7-11(10,13)8-4-2-6-10/h1,3,12-13H,2,4-9H2.
What are the key properties of 8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol?
8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol has a molecular weight of 182.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(hydroxymethyl)-1,2,3,4,5,8-hexahydronaphthalen-4a-ol is sourced from PubChem (CID 86222995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).