acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane

C30H52 — CID 142981627

IUPACacetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane
SMILESC#C.C=C1CCC2CCC3C4CCC5(C)CCCCC5(C)C4CCC23C1.CC.CC
InChIInChI=1S/C24H38.2C2H6.C2H2/c1-17-6-7-18-8-9-21-19-10-14-22(2)12-4-5-13-23(22,3)20(19)11-15-24(18,21)16-17;3*1-2/h18-21H,1,4-16H2,2-3H3;2*1-2H3;1-2H
InChIKeyCWJATUYFLSOFCE-UHFFFAOYSA-N
MW412.75 g/mol
LogP9.45
Rot. Bonds

About acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane

acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane (PubChem CID 142981627) has the molecular formula C30H52 and a molecular weight of 412.75 g/mol. Its IUPAC name is acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane.

Molecular Properties

Compound Nameacetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane
PubChem CID142981627
Molecular FormulaC30H52
Molecular Weight412.75 g/mol
Exact Mass412.41
IUPAC Nameacetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane
SMILESC#C.C=C1CCC2CCC3C4CCC5(C)CCCCC5(C)C4CCC23C1.CC.CC
InChIInChI=1S/C24H38.2C2H6.C2H2/c1-17-6-7-18-8-9-21-19-10-14-22(2)12-4-5-13-23(22,3)20(19)11-15-24(18,21)16-17;3*1-2/h18-21H,1,4-16H2,2-3H3;2*1-2H3;1-2H
InChIKeyCWJATUYFLSOFCE-UHFFFAOYSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane with MolForge

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Related Compounds

14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 142981628
ethane;17-ethyl-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 145177952
5,10,13,17-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 143398911
10,13,17-trimethyl-2-methylidene-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 3780537
(1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 11890571
[(14R,17R,19R)-17-hydroxy-14-methyl-8-oxo-19-pentacyclo[11.8.0.02,10.05,10.014,19]henicosanyl]-methylidyneazanium
CID 148852800
2-[2-(5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethyl]propanedioic acid
CID 145414556
(1R,2S,5S,13S,14S)-14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 173088711
(5S,10R,14S)-14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 142981610
5-but-3-enyl-10,13-dimethyl-17-methylidene-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 91008308
(4R)-4-[(5S,10R,13R)-5,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
CID 143398918
[2-[(5R,8S,9R,10R,13R,14S,17R)-17-hydroxy-5,10,13-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
CID 11890305

Frequently Asked Questions

What is the IUPAC name of acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane?
The IUPAC name of acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane (CID 142981627) is acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane.
What is the SMILES notation for acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane?
The canonical SMILES for acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane is C#C.C=C1CCC2CCC3C4CCC5(C)CCCCC5(C)C4CCC23C1.CC.CC.
What is the InChIKey of acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane?
The InChIKey is CWJATUYFLSOFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38.2C2H6.C2H2/c1-17-6-7-18-8-9-21-19-10-14-22(2)12-4-5-13-23(22,3)20(19)11-15-24(18,21)16-17;3*1-2/h18-21H,1,4-16H2,2-3H3;2*1-2H3;1-2H.
What are the key properties of acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane?
acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane has a molecular weight of 412.75 g/mol, XLogP of 9.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;14,19-dimethyl-8-methylidenepentacyclo[11.8.0.02,10.05,10.014,19]henicosane;ethane is sourced from PubChem (CID 142981627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).