4-ethyl-5,7-dimethyl-8-propan-2-ylundecane

C18H38 — CID 91173355

IUPAC4-ethyl-5,7-dimethyl-8-propan-2-ylundecane
SMILESCCCC(CC)C(C)CC(C)C(CCC)C(C)C
InChIInChI=1S/C18H38/c1-8-11-17(10-3)15(6)13-16(7)18(12-9-2)14(4)5/h14-18H,8-13H2,1-7H3
InChIKeyVHMGTXZVVRTTSO-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds10

About 4-ethyl-5,7-dimethyl-8-propan-2-ylundecane

4-ethyl-5,7-dimethyl-8-propan-2-ylundecane (PubChem CID 91173355) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 4-ethyl-5,7-dimethyl-8-propan-2-ylundecane.

Molecular Properties

Compound Name4-ethyl-5,7-dimethyl-8-propan-2-ylundecane
PubChem CID91173355
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name4-ethyl-5,7-dimethyl-8-propan-2-ylundecane
SMILESCCCC(CC)C(C)CC(C)C(CCC)C(C)C
InChIInChI=1S/C18H38/c1-8-11-17(10-3)15(6)13-16(7)18(12-9-2)14(4)5/h14-18H,8-13H2,1-7H3
InChIKeyVHMGTXZVVRTTSO-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
4,5-diethyloctane
CID 519254
(3R)-3-ethyl-2-methylhexane
CID 59954424
5-ethyl-4,9,10-tripropyltridecane
CID 21351361
6-ethyl-2,5-dimethylnonane
CID 54499682
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
3-ethyl-2-methylhexan-1-amine
CID 91121737
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
4,5,7-triethyl-3-methyl-6-propyldecane
CID 91308748

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,7-dimethyl-8-propan-2-ylundecane?
The IUPAC name of 4-ethyl-5,7-dimethyl-8-propan-2-ylundecane (CID 91173355) is 4-ethyl-5,7-dimethyl-8-propan-2-ylundecane.
What is the SMILES notation for 4-ethyl-5,7-dimethyl-8-propan-2-ylundecane?
The canonical SMILES for 4-ethyl-5,7-dimethyl-8-propan-2-ylundecane is CCCC(CC)C(C)CC(C)C(CCC)C(C)C.
What is the InChIKey of 4-ethyl-5,7-dimethyl-8-propan-2-ylundecane?
The InChIKey is VHMGTXZVVRTTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-8-11-17(10-3)15(6)13-16(7)18(12-9-2)14(4)5/h14-18H,8-13H2,1-7H3.
What are the key properties of 4-ethyl-5,7-dimethyl-8-propan-2-ylundecane?
4-ethyl-5,7-dimethyl-8-propan-2-ylundecane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,7-dimethyl-8-propan-2-ylundecane is sourced from PubChem (CID 91173355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).