2-(2,4-dimethylpentan-3-ylidene)adamantane

C17H28 — CID 14660461

IUPAC2-(2,4-dimethylpentan-3-ylidene)adamantane
SMILESCC(C)C(=C1C2CC3CC(C2)CC1C3)C(C)C
InChIInChI=1S/C17H28/c1-10(2)16(11(3)4)17-14-6-12-5-13(8-14)9-15(17)7-12/h10-15H,5-9H2,1-4H3
InChIKeyNTNOMYSADMASLB-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.05
Rot. Bonds2

About 2-(2,4-dimethylpentan-3-ylidene)adamantane

2-(2,4-dimethylpentan-3-ylidene)adamantane (PubChem CID 14660461) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-3-ylidene)adamantane.

Molecular Properties

Compound Name2-(2,4-dimethylpentan-3-ylidene)adamantane
PubChem CID14660461
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name2-(2,4-dimethylpentan-3-ylidene)adamantane
SMILESCC(C)C(=C1C2CC3CC(C2)CC1C3)C(C)C
InChIInChI=1S/C17H28/c1-10(2)16(11(3)4)17-14-6-12-5-13(8-14)9-15(17)7-12/h10-15H,5-9H2,1-4H3
InChIKeyNTNOMYSADMASLB-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-3-ylidene)adamantane?
The IUPAC name of 2-(2,4-dimethylpentan-3-ylidene)adamantane (CID 14660461) is 2-(2,4-dimethylpentan-3-ylidene)adamantane.
What is the SMILES notation for 2-(2,4-dimethylpentan-3-ylidene)adamantane?
The canonical SMILES for 2-(2,4-dimethylpentan-3-ylidene)adamantane is CC(C)C(=C1C2CC3CC(C2)CC1C3)C(C)C.
What is the InChIKey of 2-(2,4-dimethylpentan-3-ylidene)adamantane?
The InChIKey is NTNOMYSADMASLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-10(2)16(11(3)4)17-14-6-12-5-13(8-14)9-15(17)7-12/h10-15H,5-9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpentan-3-ylidene)adamantane?
2-(2,4-dimethylpentan-3-ylidene)adamantane has a molecular weight of 232.41 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-3-ylidene)adamantane is sourced from PubChem (CID 14660461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).