(3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen

C26H50O — CID 142612917

IUPAC(3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen
SMILESCCC1CCC2C3CCC4C[C@H](C)CCC4C3CCC12CC(C)C.COC.[H][H]
InChIInChI=1S/C24H42.C2H6O.H2/c1-5-19-8-11-23-22-10-7-18-14-17(4)6-9-20(18)21(22)12-13-24(19,23)15-16(2)3;1-3-2;/h16-23H,5-15H2,1-4H3;1-2H3;1H/t17-,18?,19?,20?,21?,22?,23?,24?;;/m1../s1
InChIKeyQTSNMQHUANZENI-FYZYEHQCSA-N
MW378.69 g/mol
LogP7.84
Rot. Bonds3

About (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen

(3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen (PubChem CID 142612917) has the molecular formula C26H50O and a molecular weight of 378.69 g/mol. Its IUPAC name is (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen.

Molecular Properties

Compound Name(3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen
PubChem CID142612917
Molecular FormulaC26H50O
Molecular Weight378.69 g/mol
Exact Mass378.39
IUPAC Name(3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen
SMILESCCC1CCC2C3CCC4C[C@H](C)CCC4C3CCC12CC(C)C.COC.[H][H]
InChIInChI=1S/C24H42.C2H6O.H2/c1-5-19-8-11-23-22-10-7-18-14-17(4)6-9-20(18)21(22)12-13-24(19,23)15-16(2)3;1-3-2;/h16-23H,5-15H2,1-4H3;1-2H3;1H/t17-,18?,19?,20?,21?,22?,23?,24?;;/m1../s1
InChIKeyQTSNMQHUANZENI-FYZYEHQCSA-N
XLogP7.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen with MolForge

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Related Compounds

3-ethyl-3a-(2-methylpropyl)-7-prop-2-enyl-6-propyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene;methane
CID 142612800
chloromethane;ethane;(3R)-13-ethyl-3-methyl-17-[(2R)-5-methylhex-5-en-2-yl]-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene
CID 145154080
(5S,8R,9R,13R,14S,17S)-17-ethyl-3,3-dimethoxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 163574002
(3S,8R,10S,13S,17Z)-3,13-dimethyl-17-propylidene-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145065439
(5R,8R,9R,10S,13S,14S,17E)-3,13-dimethyl-17-propylidene-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
CID 144732752
methyl (4R)-4-[(3S,5S,10S,13R,17R)-3,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
CID 118133611
1-[(1R,3R,5S,11S,16R)-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]ethanol
CID 171643095
1-(8,12a-dimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1H-chrysen-1-yl)ethanol
CID 163383696
(3S,13R)-3-ethyl-17-(3-methoxypropyl)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene
CID 171643133
3-ethyl-17-(3-methoxypropyl)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene
CID 171642775
4-[2-[(3S,5R,8R,10S,13R)-3,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]benzonitrile;ethane
CID 171642821
17-but-1-en-2-yl-3,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;ethene;1-ethyl-1-methylhydrazine;methanamine;3-methylbut-1-ene
CID 154649677

Frequently Asked Questions

What is the IUPAC name of (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen?
The IUPAC name of (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen (CID 142612917) is (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen.
What is the SMILES notation for (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen?
The canonical SMILES for (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen is CCC1CCC2C3CCC4C[C@H](C)CCC4C3CCC12CC(C)C.COC.[H][H].
What is the InChIKey of (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen?
The InChIKey is QTSNMQHUANZENI-FYZYEHQCSA-N. The full InChI is InChI=1S/C24H42.C2H6O.H2/c1-5-19-8-11-23-22-10-7-18-14-17(4)6-9-20(18)21(22)12-13-24(19,23)15-16(2)3;1-3-2;/h16-23H,5-15H2,1-4H3;1-2H3;1H/t17-,18?,19?,20?,21?,22?,23?,24?;;/m1../s1.
What are the key properties of (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen?
(3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen has a molecular weight of 378.69 g/mol, XLogP of 7.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-17-ethyl-3-methyl-13-(2-methylpropyl)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;methoxymethane;molecular hydrogen is sourced from PubChem (CID 142612917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).