CID 100954217

C20H35 — CID 100954217

IUPAC—
SMILESCC(C)[C]1C(C(C)C)=C(C(C)C)C(C(C)C)=C1C(C)C
InChIInChI=1S/C20H35/c1-11(2)16-17(12(3)4)19(14(7)8)20(15(9)10)18(16)13(5)6/h11-15H,1-10H3
InChIKeyQYOPTMHKVPOROI-UHFFFAOYSA-N
MW275.50 g/mol
LogP6.45
Rot. Bonds5

About CID 100954217

CID 100954217 (PubChem CID 100954217) has the molecular formula C20H35 and a molecular weight of 275.50 g/mol.

Molecular Properties

Compound NameCID 100954217
PubChem CID100954217
Molecular FormulaC20H35
Molecular Weight275.50 g/mol
Exact Mass275.27
IUPAC Name—
SMILESCC(C)[C]1C(C(C)C)=C(C(C)C)C(C(C)C)=C1C(C)C
InChIInChI=1S/C20H35/c1-11(2)16-17(12(3)4)19(14(7)8)20(15(9)10)18(16)13(5)6/h11-15H,1-10H3
InChIKeyQYOPTMHKVPOROI-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 100954217 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 CID 100954217?
The IUPAC name of CID 100954217 (CID 100954217) is not available.
What is the SMILES notation for CID 100954217?
The canonical SMILES for CID 100954217 is CC(C)[C]1C(C(C)C)=C(C(C)C)C(C(C)C)=C1C(C)C.
What is the InChIKey of CID 100954217?
The InChIKey is QYOPTMHKVPOROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35/c1-11(2)16-17(12(3)4)19(14(7)8)20(15(9)10)18(16)13(5)6/h11-15H,1-10H3.
What are the key properties of CID 100954217?
CID 100954217 has a molecular weight of 275.50 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100954217 is sourced from PubChem (CID 100954217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).