10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

C25H42O — CID 155733298

IUPAC10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SMILESC=C(C)C1CCC2C3CCC4CC(COC)CCC4(CC)C3CCC12C
InChIInChI=1S/C25H42O/c1-6-25-14-11-18(16-26-5)15-19(25)7-8-20-22-10-9-21(17(2)3)24(22,4)13-12-23(20)25/h18-23H,2,6-16H2,1,3-5H3
InChIKeySSHKNNLTPZOUKG-UHFFFAOYSA-N
MW358.61 g/mol
LogP6.87
Rot. Bonds4

About 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 155733298) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
PubChem CID155733298
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SMILESC=C(C)C1CCC2C3CCC4CC(COC)CCC4(CC)C3CCC12C
InChIInChI=1S/C25H42O/c1-6-25-14-11-18(16-26-5)15-19(25)7-8-20-22-10-9-21(17(2)3)24(22,4)13-12-23(20)25/h18-23H,2,6-16H2,1,3-5H3
InChIKeySSHKNNLTPZOUKG-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene with MolForge

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Related Compounds

2-(10-ethyl-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)prop-2-en-1-ol;propane
CID 142612901
12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane
CID 155751294
(3S,5R,8R,9S,10S,13S,14S,17R)-3-(methoxymethyl)-3,10,13-trimethyl-17-prop-1-en-2-yl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 170228827
10-ethyl-N-methoxy-N,3,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
CID 142612997
[(3R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 154127885
1-[(3S,5R,8S,9S,10R,13S,14S,17S)-10-(methoxymethyl)-3,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 130378554
1-[3-(methoxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 145065218
3-(ethoxymethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 145443051
7-but-1-en-2-yl-12-ethyl-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane;propane
CID 155751433
2-bromo-1-[3-ethyl-10-(hydroxymethyl)-13-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 123762353
(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-prop-1-en-2-yl-3-propyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 155350024
10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;molecular hydrogen
CID 145168944

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (CID 155733298) is 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is C=C(C)C1CCC2C3CCC4CC(COC)CCC4(CC)C3CCC12C.
What is the InChIKey of 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is SSHKNNLTPZOUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O/c1-6-25-14-11-18(16-26-5)15-19(25)7-8-20-22-10-9-21(17(2)3)24(22,4)13-12-23(20)25/h18-23H,2,6-16H2,1,3-5H3.
What are the key properties of 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 358.61 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-3-(methoxymethyl)-13-methyl-17-prop-1-en-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 155733298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).