4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane

C27H56 — CID 142573468

IUPAC4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane
SMILESCCCCCCC(CCC)C(C)CCC(C)C(C)CC(CC)C(C)C(C)C
InChIInChI=1S/C27H56/c1-10-13-14-15-17-27(16-11-2)23(7)19-18-22(6)24(8)20-26(12-3)25(9)21(4)5/h21-27H,10-20H2,1-9H3
InChIKeyFGCNOBRYGVJENR-UHFFFAOYSA-N
MW380.75 g/mol
LogP9.77
Rot. Bonds17

About 4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane

4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane (PubChem CID 142573468) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane.

Molecular Properties

Compound Name4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane
PubChem CID142573468
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane
SMILESCCCCCCC(CCC)C(C)CCC(C)C(C)CC(CC)C(C)C(C)C
InChIInChI=1S/C27H56/c1-10-13-14-15-17-27(16-11-2)23(7)19-18-22(6)24(8)20-26(12-3)25(9)21(4)5/h21-27H,10-20H2,1-9H3
InChIKeyFGCNOBRYGVJENR-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 59.77
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

7-ethyl-6-propyltridecane
CID 530352
4-ethyl-2,3,9-trimethylhexadecane
CID 123304219
8-ethyl-7-methylhexadecane
CID 56974440
5-(3-methylbutan-2-yl)tridecane
CID 123909892
8-methyl-7-pentylhexadecane
CID 123739023
9,10-diethyloctadecane
CID 530164
4-ethyl-5,6-dimethylheptadecane
CID 123804751
3,5-diethyl-4,7,8-trimethyldodecane
CID 123740222
9-butyl-10-methyloctadecane
CID 174796911
4-propan-2-yldecane
CID 15038736
11-butyl-12-methyldocosane
CID 151619606
19-heptadecan-3-ylnonatriacontane
CID 57212477

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane?
The IUPAC name of 4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane (CID 142573468) is 4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane.
What is the SMILES notation for 4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane?
The canonical SMILES for 4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane is CCCCCCC(CCC)C(C)CCC(C)C(C)CC(CC)C(C)C(C)C.
What is the InChIKey of 4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane?
The InChIKey is FGCNOBRYGVJENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56/c1-10-13-14-15-17-27(16-11-2)23(7)19-18-22(6)24(8)20-26(12-3)25(9)21(4)5/h21-27H,10-20H2,1-9H3.
What are the key properties of 4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane?
4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane has a molecular weight of 380.75 g/mol, XLogP of 9.77, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,6,7,10-pentamethyl-11-propylheptadecane is sourced from PubChem (CID 142573468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).