3-ethyl-3,5,5,6,7-pentamethyldodecane

C19H40 — CID 123650268

IUPAC3-ethyl-3,5,5,6,7-pentamethyldodecane
SMILESCCCCCC(C)C(C)C(C)(C)CC(C)(CC)CC
InChIInChI=1S/C19H40/c1-9-12-13-14-16(4)17(5)18(6,7)15-19(8,10-2)11-3/h16-17H,9-15H2,1-8H3
InChIKeyKCUCOXGHHZWJRE-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.08
Rot. Bonds10

About 3-ethyl-3,5,5,6,7-pentamethyldodecane

3-ethyl-3,5,5,6,7-pentamethyldodecane (PubChem CID 123650268) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 3-ethyl-3,5,5,6,7-pentamethyldodecane.

Molecular Properties

Compound Name3-ethyl-3,5,5,6,7-pentamethyldodecane
PubChem CID123650268
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name3-ethyl-3,5,5,6,7-pentamethyldodecane
SMILESCCCCCC(C)C(C)C(C)(C)CC(C)(CC)CC
InChIInChI=1S/C19H40/c1-9-12-13-14-16(4)17(5)18(6,7)15-19(8,10-2)11-3/h16-17H,9-15H2,1-8H3
InChIKeyKCUCOXGHHZWJRE-UHFFFAOYSA-N
XLogP7.08
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 ≤ 57.08
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

3,3,4,5-tetramethyldodecane
CID 175562493
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
11,12-dimethyltricosane
CID 173430605
8,9-dimethylhexacosane
CID 160651612
7-(3-ethyl-3,4,5-trimethylhexan-2-yl)-8-methylhexadecane
CID 123557975
4,5-dimethylnonadecane
CID 123321090
2,3-dimethylnonacosane
CID 71331945
(4R)-N,3,3-trimethylnonan-4-amine
CID 126620511
heptan-2-ylphosphanium
CID 22349024
5,6,14,15-tetramethylnonadecane
CID 123473711

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5,5,6,7-pentamethyldodecane?
The IUPAC name of 3-ethyl-3,5,5,6,7-pentamethyldodecane (CID 123650268) is 3-ethyl-3,5,5,6,7-pentamethyldodecane.
What is the SMILES notation for 3-ethyl-3,5,5,6,7-pentamethyldodecane?
The canonical SMILES for 3-ethyl-3,5,5,6,7-pentamethyldodecane is CCCCCC(C)C(C)C(C)(C)CC(C)(CC)CC.
What is the InChIKey of 3-ethyl-3,5,5,6,7-pentamethyldodecane?
The InChIKey is KCUCOXGHHZWJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-9-12-13-14-16(4)17(5)18(6,7)15-19(8,10-2)11-3/h16-17H,9-15H2,1-8H3.
What are the key properties of 3-ethyl-3,5,5,6,7-pentamethyldodecane?
3-ethyl-3,5,5,6,7-pentamethyldodecane has a molecular weight of 268.53 g/mol, XLogP of 7.08, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5,5,6,7-pentamethyldodecane is sourced from PubChem (CID 123650268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).