ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

C34H62 — CID 167512819

IUPACethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
SMILESC=C(CCCC1CCC2(C)C3=C(CCC12C)C1(C)CCCC(C)(C)C1CC3)C(C)C.CC.CC
InChIInChI=1S/C30H50.2C2H6/c1-21(2)22(3)11-9-12-23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7;2*1-2/h21,23,26H,3,9-20H2,1-2,4-8H3;2*1-2H3
InChIKeyCYCYCPQYUVHEAK-UHFFFAOYSA-N
MW470.87 g/mol
LogP11.56
Rot. Bonds5

About ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 167512819) has the molecular formula C34H62 and a molecular weight of 470.87 g/mol. Its IUPAC name is ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Nameethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
PubChem CID167512819
Molecular FormulaC34H62
Molecular Weight470.87 g/mol
Exact Mass470.49
IUPAC Nameethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
SMILESC=C(CCCC1CCC2(C)C3=C(CCC12C)C1(C)CCCC(C)(C)C1CC3)C(C)C.CC.CC
InChIInChI=1S/C30H50.2C2H6/c1-21(2)22(3)11-9-12-23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7;2*1-2/h21,23,26H,3,9-20H2,1-2,4-8H3;2*1-2H3
InChIKeyCYCYCPQYUVHEAK-UHFFFAOYSA-N
XLogP11.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.87
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene (CID 167512819) is ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene is C=C(CCCC1CCC2(C)C3=C(CCC12C)C1(C)CCCC(C)(C)C1CC3)C(C)C.CC.CC.
What is the InChIKey of ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is CYCYCPQYUVHEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50.2C2H6/c1-21(2)22(3)11-9-12-23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7;2*1-2/h21,23,26H,3,9-20H2,1-2,4-8H3;2*1-2H3.
What are the key properties of ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene?
ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 470.87 g/mol, XLogP of 11.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,10,13,14-pentamethyl-17-(5-methyl-4-methylidenehexyl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 167512819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).