3,6,6-trimethyl-4-propyldecane

C16H34 — CID 173296569

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

About 3,6,6-trimethyl-4-propyldecane

3,6,6-trimethyl-4-propyldecane (PubChem CID 173296569) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3,6,6-trimethyl-4-propyldecane.

Molecular Properties

Compound Name3,6,6-trimethyl-4-propyldecane
PubChem CID173296569
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3,6,6-trimethyl-4-propyldecane
SMILESCCCCC(C)(C)CC(CCC)C(C)CC
InChIInChI=1S/C16H34/c1-7-10-12-16(5,6)13-15(11-8-2)14(4)9-3/h14-15H,7-13H2,1-6H3
InChIKeyDHGZTJSKMPLYGK-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

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Related Compounds

4-tert-butyl-6,6-dimethyldecane
CID 173185098
2-chloro-4,4-dimethyloctane
CID 64718117
4,6,6-trimethyldodecane
CID 123621829
5,5-dimethylnonane;5-methylnonane
CID 158755954
6,6,8-trimethyltridecane
CID 123736183
3,4,9-trimethyl-8-propylundecane
CID 90901381
4,5-diethylnonane
CID 21188862
pentane;7,7,9-trimethylpentadecane
CID 161309819
3,5,8,8-tetramethyldodecane
CID 123736669
9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103
4,5-diethyloctane
CID 519254
4-ethyl-3-methylundecane
CID 57279647

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-4-propyldecane?
The IUPAC name of 3,6,6-trimethyl-4-propyldecane (CID 173296569) is 3,6,6-trimethyl-4-propyldecane.
What is the SMILES notation for 3,6,6-trimethyl-4-propyldecane?
The canonical SMILES for 3,6,6-trimethyl-4-propyldecane is CCCCC(C)(C)CC(CCC)C(C)CC.
What is the InChIKey of 3,6,6-trimethyl-4-propyldecane?
The InChIKey is DHGZTJSKMPLYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-10-12-16(5,6)13-15(11-8-2)14(4)9-3/h14-15H,7-13H2,1-6H3.
What are the key properties of 3,6,6-trimethyl-4-propyldecane?
3,6,6-trimethyl-4-propyldecane 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 3,6,6-trimethyl-4-propyldecane is sourced from PubChem (CID 173296569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).