5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium

C21H30Hf — CID 175279322

IUPAC5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium
SMILESCCC1(CC)Cc2cc3c(cc2C1)C(CC(C)(C)C)C=C3.[Hf]
InChIInChI=1S/C21H30.Hf/c1-6-21(7-2)13-17-10-15-8-9-16(12-20(3,4)5)19(15)11-18(17)14-21;/h8-11,16H,6-7,12-14H2,1-5H3;
InChIKeyOQORPRCEVNCUTP-UHFFFAOYSA-N
MW460.96 g/mol
LogP6.14
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium

5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium (PubChem CID 175279322) has the molecular formula C21H30Hf and a molecular weight of 460.96 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium
PubChem CID175279322
Molecular FormulaC21H30Hf
Molecular Weight460.96 g/mol
Exact Mass462.18
IUPAC Name5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium
SMILESCCC1(CC)Cc2cc3c(cc2C1)C(CC(C)(C)C)C=C3.[Hf]
InChIInChI=1S/C21H30.Hf/c1-6-21(7-2)13-17-10-15-8-9-16(12-20(3,4)5)19(15)11-18(17)14-21;/h8-11,16H,6-7,12-14H2,1-5H3;
InChIKeyOQORPRCEVNCUTP-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.96
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium?
The IUPAC name of 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium (CID 175279322) is 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium is CCC1(CC)Cc2cc3c(cc2C1)C(CC(C)(C)C)C=C3.[Hf].
What is the InChIKey of 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium?
The InChIKey is OQORPRCEVNCUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30.Hf/c1-6-21(7-2)13-17-10-15-8-9-16(12-20(3,4)5)19(15)11-18(17)14-21;/h8-11,16H,6-7,12-14H2,1-5H3;.
What are the key properties of 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium?
5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium has a molecular weight of 460.96 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium is sourced from PubChem (CID 175279322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).