2-methylheptadecane;hydrobromide

C18H39Br — CID 174866228

IUPAC2-methylheptadecane;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C18H38.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;/h18H,4-17H2,1-3H3;1H
InChIKeyYVBBLRXDVBKITE-UHFFFAOYSA-N
MW335.41 g/mol
LogP7.70
Rot. Bonds14

About 2-methylheptadecane;hydrobromide

2-methylheptadecane;hydrobromide (PubChem CID 174866228) has the molecular formula C18H39Br and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methylheptadecane;hydrobromide.

Molecular Properties

Compound Name2-methylheptadecane;hydrobromide
PubChem CID174866228
Molecular FormulaC18H39Br
Molecular Weight335.41 g/mol
Exact Mass334.22
IUPAC Name2-methylheptadecane;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C18H38.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;/h18H,4-17H2,1-3H3;1H
InChIKeyYVBBLRXDVBKITE-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 57.70
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

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alumane;2-methyldecane
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azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
methane;2-methylicosane
CID 157337652
2-methyltricosane;hydrate
CID 172783998
ethane;2-methyloctane;pentane
CID 144527652
2-methylbutane;2-methyltridecane
CID 54106775
mercury;2-methylheptane
CID 175108338

Frequently Asked Questions

What is the IUPAC name of 2-methylheptadecane;hydrobromide?
The IUPAC name of 2-methylheptadecane;hydrobromide (CID 174866228) is 2-methylheptadecane;hydrobromide.
What is the SMILES notation for 2-methylheptadecane;hydrobromide?
The canonical SMILES for 2-methylheptadecane;hydrobromide is Br.CCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2-methylheptadecane;hydrobromide?
The InChIKey is YVBBLRXDVBKITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;/h18H,4-17H2,1-3H3;1H.
What are the key properties of 2-methylheptadecane;hydrobromide?
2-methylheptadecane;hydrobromide has a molecular weight of 335.41 g/mol, XLogP of 7.70, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptadecane;hydrobromide is sourced from PubChem (CID 174866228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).