[5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol

C12H22O2 — CID 11401364

IUPAC[5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol
SMILESOCC1CCC2C(CO)CCCC2C1
InChIInChI=1S/C12H22O2/c13-7-9-4-5-12-10(6-9)2-1-3-11(12)8-14/h9-14H,1-8H2
InChIKeyHYPQZWQIWKPBLF-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.80
Rot. Bonds2

About [5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol

[5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol (PubChem CID 11401364) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol
PubChem CID11401364
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol
SMILESOCC1CCC2C(CO)CCCC2C1
InChIInChI=1S/C12H22O2/c13-7-9-4-5-12-10(6-9)2-1-3-11(12)8-14/h9-14H,1-8H2
InChIKeyHYPQZWQIWKPBLF-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol (CID 11401364) is [5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol is OCC1CCC2C(CO)CCCC2C1.
What is the InChIKey of [5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol?
The InChIKey is HYPQZWQIWKPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c13-7-9-4-5-12-10(6-9)2-1-3-11(12)8-14/h9-14H,1-8H2.
What are the key properties of [5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol?
[5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol has a molecular weight of 198.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 11401364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).