4-ethyl-3-methylundecane

C14H30 — CID 57279647

IUPAC4-ethyl-3-methylundecane
SMILESCCCCCCCC(CC)C(C)CC
InChIInChI=1S/C14H30/c1-5-8-9-10-11-12-14(7-3)13(4)6-2/h13-14H,5-12H2,1-4H3
InChIKeyLJKGVOVRPNBDNH-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds9

About 4-ethyl-3-methylundecane

4-ethyl-3-methylundecane (PubChem CID 57279647) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 4-ethyl-3-methylundecane.

Molecular Properties

Compound Name4-ethyl-3-methylundecane
PubChem CID57279647
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name4-ethyl-3-methylundecane
SMILESCCCCCCCC(CC)C(C)CC
InChIInChI=1S/C14H30/c1-5-8-9-10-11-12-14(7-3)13(4)6-2/h13-14H,5-12H2,1-4H3
InChIKeyLJKGVOVRPNBDNH-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.42
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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6-ethyl-7-pentyltetradecane
CID 123140274
5,6-diethyldodecane
CID 90761715
5-butyl-6-ethyldodecane
CID 529932
7-ethyl-6-propyltridecane
CID 530352
3-ethyl-2-(3-ethylpentadecan-2-yloxy)pentadecane
CID 88652177
2-butan-2-ylheptan-1-ol
CID 86041006
5-ethyl-4-methylundecan-1-amine
CID 123603936
8-butan-2-yl-4-methyltetradecane
CID 123224994
8-butan-2-yl-6-ethylpentadecane
CID 123398993

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methylundecane?
The IUPAC name of 4-ethyl-3-methylundecane (CID 57279647) is 4-ethyl-3-methylundecane.
What is the SMILES notation for 4-ethyl-3-methylundecane?
The canonical SMILES for 4-ethyl-3-methylundecane is CCCCCCCC(CC)C(C)CC.
What is the InChIKey of 4-ethyl-3-methylundecane?
The InChIKey is LJKGVOVRPNBDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-5-8-9-10-11-12-14(7-3)13(4)6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-ethyl-3-methylundecane?
4-ethyl-3-methylundecane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methylundecane is sourced from PubChem (CID 57279647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).