7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane

C19H40 — CID 143342749

IUPAC7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane
SMILESCCC(C)CC(CC)CC(C)CC(C(C)C)C(C)C
InChIInChI=1S/C19H40/c1-9-16(7)11-18(10-2)12-17(8)13-19(14(3)4)15(5)6/h14-19H,9-13H2,1-8H3
InChIKeyWRFAHACEALKBIB-UHFFFAOYSA-N
MW268.53 g/mol
LogP6.79
Rot. Bonds10

About 7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane

7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane (PubChem CID 143342749) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane.

Molecular Properties

Compound Name7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane
PubChem CID143342749
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane
SMILESCCC(C)CC(CC)CC(C)CC(C(C)C)C(C)C
InChIInChI=1S/C19H40/c1-9-16(7)11-18(10-2)12-17(8)13-19(14(3)4)15(5)6/h14-19H,9-13H2,1-8H3
InChIKeyWRFAHACEALKBIB-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5S)-3-ethyl-5-methylheptane
CID 59094044
7-ethyl-3,5,9-trimethyldodecane
CID 123315944
5-methyl-3-propan-2-ylheptan-2-amine
CID 62913811
6-ethyl-2,3,8-trimethyldecane
CID 90730025
2,4-dimethylhexane;propane
CID 143348383
3,6-dimethyl-5-propan-2-yldecane
CID 123254389
3,5-dimethylheptane;ethane
CID 172617343
3-methylpentane;propane
CID 123266773
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
2,4,6,8-tetramethyldecane
CID 54224604
(5R)-2,3,5-trimethylheptane
CID 59882960
3,5,7,10,12-pentamethyltetradecane
CID 59582352

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane?
The IUPAC name of 7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane (CID 143342749) is 7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane.
What is the SMILES notation for 7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane?
The canonical SMILES for 7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane is CCC(C)CC(CC)CC(C)CC(C(C)C)C(C)C.
What is the InChIKey of 7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane?
The InChIKey is WRFAHACEALKBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-9-16(7)11-18(10-2)12-17(8)13-19(14(3)4)15(5)6/h14-19H,9-13H2,1-8H3.
What are the key properties of 7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane?
7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane has a molecular weight of 268.53 g/mol, XLogP of 6.79, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane is sourced from PubChem (CID 143342749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).