(6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol

C16H26O2 — CID 22794198

IUPAC(6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol
SMILESCCC1CCC2=C(CC[C@@]3(CC)C(O)CC[C@@H]23)O1
InChIInChI=1S/C16H26O2/c1-3-11-5-6-12-13-7-8-15(17)16(13,4-2)10-9-14(12)18-11/h11,13,15,17H,3-10H2,1-2H3/t11?,13-,15?,16+/m0/s1
InChIKeyUTNCFIGJTMEXCA-PBYBEEADSA-N
MW250.38 g/mol
LogP3.79
Rot. Bonds2

About (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol

(6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol (PubChem CID 22794198) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol.

Molecular Properties

Compound Name(6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol
PubChem CID22794198
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol
SMILESCCC1CCC2=C(CC[C@@]3(CC)C(O)CC[C@@H]23)O1
InChIInChI=1S/C16H26O2/c1-3-11-5-6-12-13-7-8-15(17)16(13,4-2)10-9-14(12)18-11/h11,13,15,17H,3-10H2,1-2H3/t11?,13-,15?,16+/m0/s1
InChIKeyUTNCFIGJTMEXCA-PBYBEEADSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol with MolForge

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Related Compounds

(6aR,9aS)-3-ethyl-6a-methyl-1,2,3,5,6,8,9,9a-octahydrocyclopenta[f]chromen-7-one
CID 22794202
5-ethyloxolane-2-thione
CID 86200058
(6aS)-3-ethyl-6a-methyl-1,2,3,5,6,8-hexahydrocyclopenta[f]chromen-7-one
CID 22794167
(2R,4S)-2-ethyl-4-methyl-3,4,5,6,7,8-hexahydro-2H-chromene
CID 176894920
acetonitrile;5-ethyloxolan-2-one
CID 174800937
ethylcyclopropane;5-ethyloxolan-2-one;methane
CID 158681141
2-ethyl-7,8-difluoro-3,4-dihydro-2H-chromene
CID 143810790
cis-(1S,2R)-1-ethylcyclobutane-1,2-diol
CID 102159302
2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene
CID 59795280
(9R)-9-ethyloxonan-2-one
CID 54340758
16-ethyl-oxacyclohexadecan-2-one
CID 71324140
(8R,9R,13S,14S,17S)-8-ethyl-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 15692389

Frequently Asked Questions

What is the IUPAC name of (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol?
The IUPAC name of (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol (CID 22794198) is (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol.
What is the SMILES notation for (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol?
The canonical SMILES for (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol is CCC1CCC2=C(CC[C@@]3(CC)C(O)CC[C@@H]23)O1.
What is the InChIKey of (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol?
The InChIKey is UTNCFIGJTMEXCA-PBYBEEADSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-11-5-6-12-13-7-8-15(17)16(13,4-2)10-9-14(12)18-11/h11,13,15,17H,3-10H2,1-2H3/t11?,13-,15?,16+/m0/s1.
What are the key properties of (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol?
(6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol has a molecular weight of 250.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9aR)-3,6a-diethyl-2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[f]chromen-7-ol is sourced from PubChem (CID 22794198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).