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

C11H20O2 — CID 15182683

IUPAC6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol
SMILESOCCCC12CCCC1(O)CCC2
InChIInChI=1S/C11H20O2/c12-9-3-6-10-4-1-7-11(10,13)8-2-5-10/h12-13H,1-9H2
InChIKeyASQBYJFTIWCXIB-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.84
Rot. Bonds3

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

6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol (PubChem CID 15182683) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol.

Molecular Properties

Compound Name6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol
PubChem CID15182683
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol
SMILESOCCCC12CCCC1(O)CCC2
InChIInChI=1S/C11H20O2/c12-9-3-6-10-4-1-7-11(10,13)8-2-5-10/h12-13H,1-9H2
InChIKeyASQBYJFTIWCXIB-UHFFFAOYSA-N
XLogP1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[4-[6-(6-hydroxyhexoxy)hexoxy]butyl]cycloheptyl]cycloheptan-1-ol
CID 122513051
3-[1-(aminomethyl)cyclohexyl]propan-1-ol
CID 169495228
1-[1-(hydroxymethyl)cyclopropyl]cyclopentan-1-ol
CID 165442160
3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol
CID 139787359
(1-butylcyclobutyl)methanol
CID 12786214
[1-(3-chloropropyl)cyclobutyl]methanol
CID 55298559
cyclohexane-1,1-diol;hexane-1,6-diol
CID 19371840
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
2-[1-(2-hydroxyethyl)cyclononadecyl]ethanol
CID 150954870
2-[1-(2-hydroxyethyl)cyclodecyl]ethanol
CID 18618783
7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol
CID 137487836
1-(6-hydroxyhexyl)cyclopentan-1-ol
CID 70524095

Frequently Asked Questions

What is the IUPAC name of 6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol?
The IUPAC name of 6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol (CID 15182683) is 6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol.
What is the SMILES notation for 6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol?
The canonical SMILES for 6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol is OCCCC12CCCC1(O)CCC2.
What is the InChIKey of 6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol?
The InChIKey is ASQBYJFTIWCXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c12-9-3-6-10-4-1-7-11(10,13)8-2-5-10/h12-13H,1-9H2.
What are the key properties of 6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol?
6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol has a molecular weight of 184.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol is sourced from PubChem (CID 15182683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).