6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol

C11H20O2 — CID 130151118

IUPAC6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol
SMILESCC1CCC2(CCO)CCCC12O
InChIInChI=1S/C11H20O2/c1-9-3-6-10(7-8-12)4-2-5-11(9,10)13/h9,12-13H,2-8H2,1H3
InChIKeyRLYHJEDMSYELED-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.70
Rot. Bonds2

About 6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol

6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol (PubChem CID 130151118) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol.

Molecular Properties

Compound Name6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol
PubChem CID130151118
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol
SMILESCC1CCC2(CCO)CCCC12O
InChIInChI=1S/C11H20O2/c1-9-3-6-10(7-8-12)4-2-5-11(9,10)13/h9,12-13H,2-8H2,1H3
InChIKeyRLYHJEDMSYELED-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol
CID 56631028
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
CID 79126602
ethyl (3aR,6aS)-6a-hydroxy-1-methyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate
CID 11735992
1-[1-(aminomethyl)cyclobutyl]-2,3-dimethylcyclohexan-1-ol
CID 79123457
1-(2-hydroxyethyl)-2-methylcyclopropan-1-ol
CID 56622517
2-[(1S,2S,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethanol
CID 53255344
2-[1-(2-hydroxyethyl)cyclononadecyl]ethanol
CID 150954870
2-[1-(2-hydroxyethyl)cyclodecyl]ethanol
CID 18618783
(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 3032717
4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
CID 141270843

Frequently Asked Questions

What is the IUPAC name of 6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol?
The IUPAC name of 6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol (CID 130151118) is 6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol.
What is the SMILES notation for 6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol?
The canonical SMILES for 6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol is CC1CCC2(CCO)CCCC12O.
What is the InChIKey of 6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol?
The InChIKey is RLYHJEDMSYELED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-3-6-10(7-8-12)4-2-5-11(9,10)13/h9,12-13H,2-8H2,1H3.
What are the key properties of 6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol?
6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol has a molecular weight of 184.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(2-hydroxyethyl)-3-methyl-1,2,3,4,5,6-hexahydropentalen-3a-ol is sourced from PubChem (CID 130151118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).