12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane

C27H46 — CID 155751294

IUPAC12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane
SMILESC=C(C)C1CCCCC2C3CCC4CC(C)(C)CCC4(CC)C3CCC12C
InChIInChI=1S/C27H46/c1-7-27-17-16-25(4,5)18-20(27)12-13-21-23-11-9-8-10-22(19(2)3)26(23,6)15-14-24(21)27/h20-24H,2,7-18H2,1,3-6H3
InChIKeyYLKDXWSJZCUNNI-UHFFFAOYSA-N
MW370.67 g/mol
LogP8.42
Rot. Bonds2

About 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane

12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane (PubChem CID 155751294) has the molecular formula C27H46 and a molecular weight of 370.67 g/mol. Its IUPAC name is 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane.

Molecular Properties

Compound Name12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane
PubChem CID155751294
Molecular FormulaC27H46
Molecular Weight370.67 g/mol
Exact Mass370.36
IUPAC Name12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane
SMILESC=C(C)C1CCCCC2C3CCC4CC(C)(C)CCC4(CC)C3CCC12C
InChIInChI=1S/C27H46/c1-7-27-17-16-25(4,5)18-20(27)12-13-21-23-11-9-8-10-22(19(2)3)26(23,6)15-14-24(21)27/h20-24H,2,7-18H2,1,3-6H3
InChIKeyYLKDXWSJZCUNNI-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane with MolForge

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Related Compounds

7-but-1-en-2-yl-12-ethyl-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane;propane
CID 155751433
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
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
2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane
CID 155751131
(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
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
(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
(3R,5R,8S,9S,10S,13S,14S,17S)-3-(ethoxymethyl)-10-ethyl-3-hydroxy-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
CID 154949522
(8R,9S,10S,13S,14S)-13-ethyl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
CID 70066274
2-bromo-1-[(1S,2S,5S,8R,11S,12S,15S,16S)-2-ethyl-5-hydroxy-5,16-dimethyl-15-tetracyclo[9.7.0.02,8.012,16]octadecanyl]ethanone
CID 167407611
6a,8,10a,12a-tetramethyl-1-prop-1-en-2-yl-2,3,4,4a,4b,5,6,7,8,9,10,10b,11,12-tetradecahydro-1H-chrysene;ethane
CID 155752383
1-[(3R,5S,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(triazol-2-yl)ethanone
CID 122471550

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane?
The IUPAC name of 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane (CID 155751294) is 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane.
What is the SMILES notation for 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane?
The canonical SMILES for 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane is C=C(C)C1CCCCC2C3CCC4CC(C)(C)CCC4(CC)C3CCC12C.
What is the InChIKey of 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane?
The InChIKey is YLKDXWSJZCUNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46/c1-7-27-17-16-25(4,5)18-20(27)12-13-21-23-11-9-8-10-22(19(2)3)26(23,6)15-14-24(21)27/h20-24H,2,7-18H2,1,3-6H3.
What are the key properties of 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane?
12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane has a molecular weight of 370.67 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane is sourced from PubChem (CID 155751294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).