CID 168724040

C11H21 — CID 168724040

IUPAC—
SMILES[CH2]C(C)(C)C/C=C/C(C)(C)C
InChIInChI=1S/C11H21/c1-10(2,3)8-7-9-11(4,5)6/h7,9H,1,8H2,2-6H3/b9-7+
InChIKeyKYRBXYPXDSMNJD-VQHVLOKHSA-N
MW153.29 g/mol
LogP3.84
Rot. Bonds2

About CID 168724040

CID 168724040 (PubChem CID 168724040) has the molecular formula C11H21 and a molecular weight of 153.29 g/mol.

Molecular Properties

Compound NameCID 168724040
PubChem CID168724040
Molecular FormulaC11H21
Molecular Weight153.29 g/mol
Exact Mass153.16
IUPAC Name—
SMILES[CH2]C(C)(C)C/C=C/C(C)(C)C
InChIInChI=1S/C11H21/c1-10(2,3)8-7-9-11(4,5)6/h7,9H,1,8H2,2-6H3/b9-7+
InChIKeyKYRBXYPXDSMNJD-VQHVLOKHSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.29
LogP ≤ 53.84
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 CID 168724040?
The IUPAC name of CID 168724040 (CID 168724040) is not available.
What is the SMILES notation for CID 168724040?
The canonical SMILES for CID 168724040 is [CH2]C(C)(C)C/C=C/C(C)(C)C.
What is the InChIKey of CID 168724040?
The InChIKey is KYRBXYPXDSMNJD-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H21/c1-10(2,3)8-7-9-11(4,5)6/h7,9H,1,8H2,2-6H3/b9-7+.
What are the key properties of CID 168724040?
CID 168724040 has a molecular weight of 153.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168724040 is sourced from PubChem (CID 168724040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).