2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

C11H20O2 — CID 5016583

IUPAC2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESOCC1(O)CCC2CCCCC2C1
InChIInChI=1S/C11H20O2/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h9-10,12-13H,1-8H2
InChIKeyVTQZYDUQPCYDPN-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.70
Rot. Bonds1

About 2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (PubChem CID 5016583) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
PubChem CID5016583
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESOCC1(O)CCC2CCCCC2C1
InChIInChI=1S/C11H20O2/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h9-10,12-13H,1-8H2
InChIKeyVTQZYDUQPCYDPN-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 59649291
2-(nitromethyl)-1,3,3a,4,5,6,7,7a-octahydroinden-2-ol
CID 21358749
2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
CID 83905171
(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 162534781
3-cyclopropyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65154108
1-[(tert-butylamino)methyl]-3-cyclopropylcyclohexan-1-ol
CID 64624059
1-(hydroxymethyl)cyclooctane-1,5-diol
CID 11816153
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
2-[1-(carboxymethyl)-4-cyclohexylcyclohexyl]acetic acid
CID 71401425
CID 175638200
CID 175638200
cyclooctylcyclooctane;prop-2-en-1-ol
CID 174488377
3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol
CID 65154059

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (CID 5016583) is 2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is OCC1(O)CCC2CCCCC2C1.
What is the InChIKey of 2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The InChIKey is VTQZYDUQPCYDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c12-8-11(13)6-5-9-3-1-2-4-10(9)7-11/h9-10,12-13H,1-8H2.
What are the key properties of 2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol has a molecular weight of 184.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 5016583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).