2,2-dimethyl-5-prop-1-en-2-yltridecane

C18H36 — CID 57153618

IUPAC2,2-dimethyl-5-prop-1-en-2-yltridecane
SMILESC=C(C)C(CCCCCCCC)CCC(C)(C)C
InChIInChI=1S/C18H36/c1-7-8-9-10-11-12-13-17(16(2)3)14-15-18(4,5)6/h17H,2,7-15H2,1,3-6H3
InChIKeyNCFAVNFCGLIVDI-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.76
Rot. Bonds10

About 2,2-dimethyl-5-prop-1-en-2-yltridecane

2,2-dimethyl-5-prop-1-en-2-yltridecane (PubChem CID 57153618) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2,2-dimethyl-5-prop-1-en-2-yltridecane.

Molecular Properties

Compound Name2,2-dimethyl-5-prop-1-en-2-yltridecane
PubChem CID57153618
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name2,2-dimethyl-5-prop-1-en-2-yltridecane
SMILESC=C(C)C(CCCCCCCC)CCC(C)(C)C
InChIInChI=1S/C18H36/c1-7-8-9-10-11-12-13-17(16(2)3)14-15-18(4,5)6/h17H,2,7-15H2,1,3-6H3
InChIKeyNCFAVNFCGLIVDI-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-prop-1-en-2-yltridecane?
The IUPAC name of 2,2-dimethyl-5-prop-1-en-2-yltridecane (CID 57153618) is 2,2-dimethyl-5-prop-1-en-2-yltridecane.
What is the SMILES notation for 2,2-dimethyl-5-prop-1-en-2-yltridecane?
The canonical SMILES for 2,2-dimethyl-5-prop-1-en-2-yltridecane is C=C(C)C(CCCCCCCC)CCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-5-prop-1-en-2-yltridecane?
The InChIKey is NCFAVNFCGLIVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-7-8-9-10-11-12-13-17(16(2)3)14-15-18(4,5)6/h17H,2,7-15H2,1,3-6H3.
What are the key properties of 2,2-dimethyl-5-prop-1-en-2-yltridecane?
2,2-dimethyl-5-prop-1-en-2-yltridecane has a molecular weight of 252.49 g/mol, XLogP of 6.76, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-prop-1-en-2-yltridecane is sourced from PubChem (CID 57153618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).