7-ethyl-3-methylundecane

C14H30 — CID 57085432

IUPAC7-ethyl-3-methylundecane
SMILESCCCCC(CC)CCCC(C)CC
InChIInChI=1S/C14H30/c1-5-8-11-14(7-3)12-9-10-13(4)6-2/h13-14H,5-12H2,1-4H3
InChIKeyMPBWVKBLQORDHQ-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds9

About 7-ethyl-3-methylundecane

7-ethyl-3-methylundecane (PubChem CID 57085432) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 7-ethyl-3-methylundecane.

Molecular Properties

Compound Name7-ethyl-3-methylundecane
PubChem CID57085432
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name7-ethyl-3-methylundecane
SMILESCCCCC(CC)CCCC(C)CC
InChIInChI=1S/C14H30/c1-5-8-11-14(7-3)12-9-10-13(4)6-2/h13-14H,5-12H2,1-4H3
InChIKeyMPBWVKBLQORDHQ-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

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Related Compounds

9-ethyl-3-methyltridecane
CID 54105230
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
4-ethylheptane;3-methylheptane
CID 143099611
3-methyl-7-propylundecane
CID 123449834
13-ethyl-3,8-dimethyloctadecane
CID 123214629
3-ethyl-7-methylnonane
CID 526426
calcium;hydride;3-methylheptane
CID 174879723
6-ethyl-1-fluoro-2-methyldecane
CID 130372234
5,11-diethyl-7-methylpentadecane
CID 174871265
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
3-methylheptane;nickel
CID 158967838
11-ethyl-3-methyltetradecane
CID 123200411

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methylundecane?
The IUPAC name of 7-ethyl-3-methylundecane (CID 57085432) is 7-ethyl-3-methylundecane.
What is the SMILES notation for 7-ethyl-3-methylundecane?
The canonical SMILES for 7-ethyl-3-methylundecane is CCCCC(CC)CCCC(C)CC.
What is the InChIKey of 7-ethyl-3-methylundecane?
The InChIKey is MPBWVKBLQORDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-5-8-11-14(7-3)12-9-10-13(4)6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 7-ethyl-3-methylundecane?
7-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 7-ethyl-3-methylundecane is sourced from PubChem (CID 57085432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).