2,2,7,13-tetramethyltetradecane

C18H38 — CID 164934007

IUPAC2,2,7,13-tetramethyltetradecane
SMILESCC(C)CCCCCC(C)CCCCC(C)(C)C
InChIInChI=1S/C18H38/c1-16(2)12-8-7-9-13-17(3)14-10-11-15-18(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyJZZTZXIWSNMLHI-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.84
Rot. Bonds10

About 2,2,7,13-tetramethyltetradecane

2,2,7,13-tetramethyltetradecane (PubChem CID 164934007) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2,2,7,13-tetramethyltetradecane.

Molecular Properties

Compound Name2,2,7,13-tetramethyltetradecane
PubChem CID164934007
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2,2,7,13-tetramethyltetradecane
SMILESCC(C)CCCCCC(C)CCCCC(C)(C)C
InChIInChI=1S/C18H38/c1-16(2)12-8-7-9-13-17(3)14-10-11-15-18(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyJZZTZXIWSNMLHI-UHFFFAOYSA-N
XLogP6.84
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 ≤ 56.84
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

1-(3,7-dimethyloctoxy)-10,10-dimethylundecane
CID 139372229
2,2,7-trimethylundecane
CID 57491501
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
2,2,13-trimethylpentadecane
CID 150334228
1-chloro-3,8,8-trimethylnonane
CID 170172988
(6R)-6-methoxy-2,2,12-trimethyltridecane
CID 118887775
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
2,2,5-trimethyldodecane
CID 54169953
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 91844645
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
CID 170845955
cerium;bis(7,7-dimethyloctanoic acid);8-methylnonanoic acid
CID 170846310
calcium;7,7-dimethyloctanoate;7-methyloctanoate
CID 56843801

Frequently Asked Questions

What is the IUPAC name of 2,2,7,13-tetramethyltetradecane?
The IUPAC name of 2,2,7,13-tetramethyltetradecane (CID 164934007) is 2,2,7,13-tetramethyltetradecane.
What is the SMILES notation for 2,2,7,13-tetramethyltetradecane?
The canonical SMILES for 2,2,7,13-tetramethyltetradecane is CC(C)CCCCCC(C)CCCCC(C)(C)C.
What is the InChIKey of 2,2,7,13-tetramethyltetradecane?
The InChIKey is JZZTZXIWSNMLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-16(2)12-8-7-9-13-17(3)14-10-11-15-18(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 2,2,7,13-tetramethyltetradecane?
2,2,7,13-tetramethyltetradecane has a molecular weight of 254.50 g/mol, XLogP of 6.84, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,13-tetramethyltetradecane is sourced from PubChem (CID 164934007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).