3,3,4,5-tetramethyldodecane

C16H34 — CID 175562493

IUPAC3,3,4,5-tetramethyldodecane
SMILESCCCCCCCC(C)C(C)C(C)(C)CC
InChIInChI=1S/C16H34/c1-7-9-10-11-12-13-14(3)15(4)16(5,6)8-2/h14-15H,7-13H2,1-6H3
InChIKeyDXVKJSMQSNBYGR-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds9

About 3,3,4,5-tetramethyldodecane

3,3,4,5-tetramethyldodecane (PubChem CID 175562493) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3,3,4,5-tetramethyldodecane.

Molecular Properties

Compound Name3,3,4,5-tetramethyldodecane
PubChem CID175562493
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3,3,4,5-tetramethyldodecane
SMILESCCCCCCCC(C)C(C)C(C)(C)CC
InChIInChI=1S/C16H34/c1-7-9-10-11-12-13-14(3)15(4)16(5,6)8-2/h14-15H,7-13H2,1-6H3
InChIKeyDXVKJSMQSNBYGR-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
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-ethyl-3,5,5,6,7-pentamethyldodecane
CID 123650268
trimethyl(4,5,6,6-tetramethyloctyl)silane
CID 91457425
11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
N,3,3-trimethylhexadecan-4-amine
CID 115846506
3,3-dimethylundecan-4-ylhydrazine
CID 105293669
3,3-dimethylhexadecan-4-ylhydrazine
CID 105298722
2,3-dimethylnonacosane
CID 71331945
4,5-dimethylnonadecane
CID 123321090

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetramethyldodecane?
The IUPAC name of 3,3,4,5-tetramethyldodecane (CID 175562493) is 3,3,4,5-tetramethyldodecane.
What is the SMILES notation for 3,3,4,5-tetramethyldodecane?
The canonical SMILES for 3,3,4,5-tetramethyldodecane is CCCCCCCC(C)C(C)C(C)(C)CC.
What is the InChIKey of 3,3,4,5-tetramethyldodecane?
The InChIKey is DXVKJSMQSNBYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-9-10-11-12-13-14(3)15(4)16(5,6)8-2/h14-15H,7-13H2,1-6H3.
What are the key properties of 3,3,4,5-tetramethyldodecane?
3,3,4,5-tetramethyldodecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetramethyldodecane is sourced from PubChem (CID 175562493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).