10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen

C27H42 — CID 163249580

IUPAC10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen
SMILESCc1ccc(C(C)C2CCC3C2CCC2C3CCC3CCCCC32C)cc1.[H][H]
InChIInChI=1S/C27H40.H2/c1-18-7-9-20(10-8-18)19(2)22-13-14-24-23(22)15-16-26-25(24)12-11-21-6-4-5-17-27(21,26)3;/h7-10,19,21-26H,4-6,11-17H2,1-3H3;1H
InChIKeyCQDCJLJWYIWPAK-UHFFFAOYSA-N
MW366.63 g/mol
LogP8.00
Rot. Bonds2

About 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen

10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen (PubChem CID 163249580) has the molecular formula C27H42 and a molecular weight of 366.63 g/mol. Its IUPAC name is 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen.

Molecular Properties

Compound Name10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen
PubChem CID163249580
Molecular FormulaC27H42
Molecular Weight366.63 g/mol
Exact Mass366.33
IUPAC Name10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen
SMILESCc1ccc(C(C)C2CCC3C2CCC2C3CCC3CCCCC32C)cc1.[H][H]
InChIInChI=1S/C27H40.H2/c1-18-7-9-20(10-8-18)19(2)22-13-14-24-23(22)15-16-26-25(24)12-11-21-6-4-5-17-27(21,26)3;/h7-10,19,21-26H,4-6,11-17H2,1-3H3;1H
InChIKeyCQDCJLJWYIWPAK-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen?
The IUPAC name of 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen (CID 163249580) is 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen.
What is the SMILES notation for 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen?
The canonical SMILES for 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen is Cc1ccc(C(C)C2CCC3C2CCC2C3CCC3CCCCC32C)cc1.[H][H].
What is the InChIKey of 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen?
The InChIKey is CQDCJLJWYIWPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40.H2/c1-18-7-9-20(10-8-18)19(2)22-13-14-24-23(22)15-16-26-25(24)12-11-21-6-4-5-17-27(21,26)3;/h7-10,19,21-26H,4-6,11-17H2,1-3H3;1H.
What are the key properties of 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen?
10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen has a molecular weight of 366.63 g/mol, XLogP of 8.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-17-[1-(4-methylphenyl)ethyl]-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene;molecular hydrogen is sourced from PubChem (CID 163249580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).