3-bromo-7-ethyl-2-methylundecane

C14H29Br — CID 64508771

IUPAC3-bromo-7-ethyl-2-methylundecane
SMILESCCCCC(CC)CCCC(Br)C(C)C
InChIInChI=1S/C14H29Br/c1-5-7-9-13(6-2)10-8-11-14(15)12(3)4/h12-14H,5-11H2,1-4H3
InChIKeyMGZMKVCTVWFMMO-UHFFFAOYSA-N
MW277.29 g/mol
LogP5.79
Rot. Bonds9

About 3-bromo-7-ethyl-2-methylundecane

3-bromo-7-ethyl-2-methylundecane (PubChem CID 64508771) has the molecular formula C14H29Br and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-bromo-7-ethyl-2-methylundecane.

Molecular Properties

Compound Name3-bromo-7-ethyl-2-methylundecane
PubChem CID64508771
Molecular FormulaC14H29Br
Molecular Weight277.29 g/mol
Exact Mass276.15
IUPAC Name3-bromo-7-ethyl-2-methylundecane
SMILESCCCCC(CC)CCCC(Br)C(C)C
InChIInChI=1S/C14H29Br/c1-5-7-9-13(6-2)10-8-11-14(15)12(3)4/h12-14H,5-11H2,1-4H3
InChIKeyMGZMKVCTVWFMMO-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.29
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 63470480
3-bromo-2-methyldecane
CID 63470479
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CID 57085432
2-chloro-6-ethyldecane
CID 64514713
6-ethyl-2,3-dimethyldecane
CID 57491764
5,11-diethyl-7-methylpentadecane
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6-ethyl-1-fluoro-2-methyldecane
CID 130372234
2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
CID 102905339
5-ethylnonane;5-propylnonane
CID 157441807
6-ethyldecan-3-yloxy-dimethyl-propan-2-ylsilane
CID 554271
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
(2R,4S)-4-ethyloctan-2-ol
CID 7015159

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-ethyl-2-methylundecane?
The IUPAC name of 3-bromo-7-ethyl-2-methylundecane (CID 64508771) is 3-bromo-7-ethyl-2-methylundecane.
What is the SMILES notation for 3-bromo-7-ethyl-2-methylundecane?
The canonical SMILES for 3-bromo-7-ethyl-2-methylundecane is CCCCC(CC)CCCC(Br)C(C)C.
What is the InChIKey of 3-bromo-7-ethyl-2-methylundecane?
The InChIKey is MGZMKVCTVWFMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Br/c1-5-7-9-13(6-2)10-8-11-14(15)12(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 3-bromo-7-ethyl-2-methylundecane?
3-bromo-7-ethyl-2-methylundecane has a molecular weight of 277.29 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-ethyl-2-methylundecane is sourced from PubChem (CID 64508771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).