[4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol

C12H20O2 — CID 18326902

IUPAC[4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
SMILESOCC1CCC(CO)C2CC=CCC12
InChIInChI=1S/C12H20O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-2,9-14H,3-8H2
InChIKeyLIAOUNNFQALLRD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.58
Rot. Bonds2

About [4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol

[4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol (PubChem CID 18326902) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
PubChem CID18326902
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
SMILESOCC1CCC(CO)C2CC=CCC12
InChIInChI=1S/C12H20O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-2,9-14H,3-8H2
InChIKeyLIAOUNNFQALLRD-UHFFFAOYSA-N
XLogP1.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.58
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

[3-fluoro-4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
CID 23215678
[(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol
CID 55303042
[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol
CID 130831326
[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol
CID 129405394
(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
2,3,4-tris(hydroxymethyl)cyclohexan-1-ol
CID 175425260
(3S,3aS,7aR)-3-(hydroxymethyl)-2,3,3a,4,7,7a-hexahydroisoindol-1-one
CID 67518726
[(1R,2S)-2-aminocyclobutyl]methanol;hydrochloride
CID 162342272
[(1R,2S)-2-(fluoromethyl)cyclobutyl]methanol
CID 155904104
2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol
CID 22483587
[(1S,3aR,7aS)-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-yl]methanol
CID 67566586
[6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol
CID 130147695

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol (CID 18326902) is [4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol is OCC1CCC(CO)C2CC=CCC12.
What is the InChIKey of [4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol?
The InChIKey is LIAOUNNFQALLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-2,9-14H,3-8H2.
What are the key properties of [4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol?
[4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol has a molecular weight of 196.29 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 18326902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).