(2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol

C11H20O2 — CID 170528487

IUPAC(2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol
SMILESCC[C@H]1CC2C[C@H](C)C(O)C2C1O
InChIInChI=1S/C11H20O2/c1-3-7-5-8-4-6(2)10(12)9(8)11(7)13/h6-13H,3-5H2,1-2H3/t6-,7-,8?,9?,10?,11?/m0/s1
InChIKeyHMOPPGZQZSVJRW-YLLVLXDNSA-N
MW184.28 g/mol
LogP1.41
Rot. Bonds1

About (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol

(2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol (PubChem CID 170528487) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol.

Molecular Properties

Compound Name(2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol
PubChem CID170528487
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol
SMILESCC[C@H]1CC2C[C@H](C)C(O)C2C1O
InChIInChI=1S/C11H20O2/c1-3-7-5-8-4-6(2)10(12)9(8)11(7)13/h6-13H,3-5H2,1-2H3/t6-,7-,8?,9?,10?,11?/m0/s1
InChIKeyHMOPPGZQZSVJRW-YLLVLXDNSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol with MolForge

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Related Compounds

(2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527884
3-ethyl-5,8-dimethyltricyclo[5.2.1.02,6]decane
CID 59392103
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
3-ethyl-5-methylcyclohexane-1,2-diol
CID 118343814
ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143769708
(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol
CID 170528391
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
(2R,3S,6R)-4-ethyl-6-methyloxane-2,3-diol
CID 89075898
cis-(2S,5S)-2-ethyl-5-methylcyclopentan-1-ol;ethane
CID 142059714
2-methyl-4-propylcyclobutan-1-ol
CID 91553284
(2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527722
2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol
CID 123429982

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol?
The IUPAC name of (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol (CID 170528487) is (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol.
What is the SMILES notation for (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol?
The canonical SMILES for (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol is CC[C@H]1CC2C[C@H](C)C(O)C2C1O.
What is the InChIKey of (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol?
The InChIKey is HMOPPGZQZSVJRW-YLLVLXDNSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-5-8-4-6(2)10(12)9(8)11(7)13/h6-13H,3-5H2,1-2H3/t6-,7-,8?,9?,10?,11?/m0/s1.
What are the key properties of (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol?
(2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol has a molecular weight of 184.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol is sourced from PubChem (CID 170528487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).