1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane

C19H38 — CID 123705938

IUPAC1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane
SMILESCCCCCC(CCCCC(C)CC)C1CC1CC
InChIInChI=1S/C19H38/c1-5-8-9-13-18(19-15-17(19)7-3)14-11-10-12-16(4)6-2/h16-19H,5-15H2,1-4H3
InChIKeyPXQFZHGTMMNYQS-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.84
Rot. Bonds12

About 1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane

1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane (PubChem CID 123705938) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane
PubChem CID123705938
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane
SMILESCCCCCC(CCCCC(C)CC)C1CC1CC
InChIInChI=1S/C19H38/c1-5-8-9-13-18(19-15-17(19)7-3)14-11-10-12-16(4)6-2/h16-19H,5-15H2,1-4H3
InChIKeyPXQFZHGTMMNYQS-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.84
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

1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
1-nonan-3-yl-2-pentylcyclopropane
CID 20771222
magnesium;3-methyloctane;dibromide
CID 174825221
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane?
The IUPAC name of 1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane (CID 123705938) is 1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane.
What is the SMILES notation for 1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane?
The canonical SMILES for 1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane is CCCCCC(CCCCC(C)CC)C1CC1CC.
What is the InChIKey of 1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane?
The InChIKey is PXQFZHGTMMNYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-5-8-9-13-18(19-15-17(19)7-3)14-11-10-12-16(4)6-2/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane?
1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane has a molecular weight of 266.51 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane is sourced from PubChem (CID 123705938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).