2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane

C26H45P — CID 155751131

IUPAC2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane
SMILESC=C(CP)C1CCCC2C3CCC4CCC(C)(C)CCC4(C)C3CCC12C
InChIInChI=1S/C26H45P/c1-18(17-27)21-7-6-8-22-20-10-9-19-11-13-24(2,3)15-16-25(19,4)23(20)12-14-26(21,22)5/h19-23H,1,6-17,27H2,2-5H3
InChIKeyLJNARNSBBUZMLG-UHFFFAOYSA-N
MW388.62 g/mol
LogP7.88
Rot. Bonds2

About 2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane

2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane (PubChem CID 155751131) has the molecular formula C26H45P and a molecular weight of 388.62 g/mol. Its IUPAC name is 2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane.

Molecular Properties

Compound Name2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane
PubChem CID155751131
Molecular FormulaC26H45P
Molecular Weight388.62 g/mol
Exact Mass388.33
IUPAC Name2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane
SMILESC=C(CP)C1CCCC2C3CCC4CCC(C)(C)CCC4(C)C3CCC12C
InChIInChI=1S/C26H45P/c1-18(17-27)21-7-6-8-22-20-10-9-19-11-13-24(2,3)15-16-25(19,4)23(20)12-14-26(21,22)5/h19-23H,1,6-17,27H2,2-5H3
InChIKeyLJNARNSBBUZMLG-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.62
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

12-ethyl-8,15,15-trimethyl-7-prop-1-en-2-yltetracyclo[9.8.0.02,8.012,17]nonadecane
CID 155751294
ethane;(Z)-2-ethenyl-N-[2-[(5R)-5-ethyl-2,5,17-trimethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl]prop-2-enyl]-N-methylpent-1-en-4-yn-1-amine
CID 155751211
7-but-1-en-2-yl-12-ethyl-8,15-dimethyltetracyclo[9.8.0.02,8.012,17]nonadecane;propane
CID 155751433
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
1-[(5R,8R,9S,10S,13S,14S,17S)-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-fluoroethanone
CID 57254919
1-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propan-1-one
CID 140983658
1-[(8R,9R,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 58853049
N-[1-[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethylidene]hydroxylamine
CID 90067851
(8R,9S,10S,13S,14S,17R)-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 70568002
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
1-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;hydrate
CID 140986703
(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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane?
The IUPAC name of 2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane (CID 155751131) is 2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane.
What is the SMILES notation for 2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane?
The canonical SMILES for 2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane is C=C(CP)C1CCCC2C3CCC4CCC(C)(C)CCC4(C)C3CCC12C.
What is the InChIKey of 2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane?
The InChIKey is LJNARNSBBUZMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45P/c1-18(17-27)21-7-6-8-22-20-10-9-19-11-13-24(2,3)15-16-25(19,4)23(20)12-14-26(21,22)5/h19-23H,1,6-17,27H2,2-5H3.
What are the key properties of 2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane?
2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane has a molecular weight of 388.62 g/mol, XLogP of 7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5,5,17-tetramethyl-16-tetracyclo[9.8.0.02,8.012,17]nonadecanyl)prop-2-enylphosphane is sourced from PubChem (CID 155751131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).