1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene

C19H30 — CID 21359634

IUPAC1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene
SMILESCCCCCC1CC1c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H30/c1-7-8-9-10-17-11-18(17)19-15(5)13(3)12(2)14(4)16(19)6/h17-18H,7-11H2,1-6H3
InChIKeyBPWFYUMBIDYVTO-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.91
Rot. Bonds5

About 1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene

1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene (PubChem CID 21359634) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene
PubChem CID21359634
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene
SMILESCCCCCC1CC1c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H30/c1-7-8-9-10-17-11-18(17)19-15(5)13(3)12(2)14(4)16(19)6/h17-18H,7-11H2,1-6H3
InChIKeyBPWFYUMBIDYVTO-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane
CID 21359867
1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane
CID 91587586
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
1-hexyl-2-undecylcyclopropane
CID 58049498
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1,2-dioctylcyclopropane
CID 21337627
2-(4-ethynyl-2,3,5,6-tetramethylphenoxy)oxane;1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene;1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]benzene;2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenol;2-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2-pentylcyclopropyl)phenyl]ethynyl]phenoxy]oxane
CID 158065409
1-methyl-2-pentadecylcyclopropane
CID 54385825
1-propyl-2-undecylcyclopropane
CID 123636027
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene
CID 101342444
3-[(1S,2S)-2-heptylcyclopropyl]-2H-furan-5-one
CID 101076695

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene (CID 21359634) is 1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene is CCCCCC1CC1c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene?
The InChIKey is BPWFYUMBIDYVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-7-8-9-10-17-11-18(17)19-15(5)13(3)12(2)14(4)16(19)6/h17-18H,7-11H2,1-6H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene?
1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene has a molecular weight of 258.45 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-(2-pentylcyclopropyl)benzene is sourced from PubChem (CID 21359634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).