2,14-dimethyl-7,9-di(propan-2-yl)pentadecane

C23H48 — CID 158451501

IUPAC2,14-dimethyl-7,9-di(propan-2-yl)pentadecane
SMILESCC(C)CCCCC(CC(CCCCC(C)C)C(C)C)C(C)C
InChIInChI=1S/C23H48/c1-18(2)13-9-11-15-22(20(5)6)17-23(21(7)8)16-12-10-14-19(3)4/h18-23H,9-17H2,1-8H3
InChIKeyXUNHCYZHRUHGQK-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.35
Rot. Bonds14

About 2,14-dimethyl-7,9-di(propan-2-yl)pentadecane

2,14-dimethyl-7,9-di(propan-2-yl)pentadecane (PubChem CID 158451501) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 2,14-dimethyl-7,9-di(propan-2-yl)pentadecane.

Molecular Properties

Compound Name2,14-dimethyl-7,9-di(propan-2-yl)pentadecane
PubChem CID158451501
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name2,14-dimethyl-7,9-di(propan-2-yl)pentadecane
SMILESCC(C)CCCCC(CC(CCCCC(C)C)C(C)C)C(C)C
InChIInChI=1S/C23H48/c1-18(2)13-9-11-15-22(20(5)6)17-23(21(7)8)16-12-10-14-19(3)4/h18-23H,9-17H2,1-8H3
InChIKeyXUNHCYZHRUHGQK-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.35
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

2,13-dimethyl-4-propan-2-yltetradecane
CID 140816601
7-methyl-5-propan-2-yloctan-1-ol
CID 143448333
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
(2S)-6-methyl-2-propan-2-ylheptan-1-ol
CID 167319814
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
2,7-dimethyloctane;2,4,6-trimethylheptane
CID 160877277
2-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476
2-methyl-4-propan-2-ylheptane
CID 21201044
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
7-butyl-2-methyl-6-propan-2-yltridecane
CID 123825241

Frequently Asked Questions

What is the IUPAC name of 2,14-dimethyl-7,9-di(propan-2-yl)pentadecane?
The IUPAC name of 2,14-dimethyl-7,9-di(propan-2-yl)pentadecane (CID 158451501) is 2,14-dimethyl-7,9-di(propan-2-yl)pentadecane.
What is the SMILES notation for 2,14-dimethyl-7,9-di(propan-2-yl)pentadecane?
The canonical SMILES for 2,14-dimethyl-7,9-di(propan-2-yl)pentadecane is CC(C)CCCCC(CC(CCCCC(C)C)C(C)C)C(C)C.
What is the InChIKey of 2,14-dimethyl-7,9-di(propan-2-yl)pentadecane?
The InChIKey is XUNHCYZHRUHGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-18(2)13-9-11-15-22(20(5)6)17-23(21(7)8)16-12-10-14-19(3)4/h18-23H,9-17H2,1-8H3.
What are the key properties of 2,14-dimethyl-7,9-di(propan-2-yl)pentadecane?
2,14-dimethyl-7,9-di(propan-2-yl)pentadecane has a molecular weight of 324.64 g/mol, XLogP of 8.35, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-dimethyl-7,9-di(propan-2-yl)pentadecane is sourced from PubChem (CID 158451501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).