CID 162829128

C23H34 — CID 162829128

IUPAC—
SMILESC=C(C)C1CCC2(C)C(=C(C)C=CC23CCC2(CCCC2)C3)C1
InChIInChI=1S/C23H34/c1-17(2)19-8-11-21(4)20(15-19)18(3)7-12-23(21)14-13-22(16-23)9-5-6-10-22/h7,12,19H,1,5-6,8-11,13-16H2,2-4H3
InChIKeyXTCQZLVAGIHWPQ-UHFFFAOYSA-N
MW310.53 g/mol
LogP6.99
Rot. Bonds1

About CID 162829128

CID 162829128 (PubChem CID 162829128) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol.

Molecular Properties

Compound NameCID 162829128
PubChem CID162829128
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name—
SMILESC=C(C)C1CCC2(C)C(=C(C)C=CC23CCC2(CCCC2)C3)C1
InChIInChI=1S/C23H34/c1-17(2)19-8-11-21(4)20(15-19)18(3)7-12-23(21)14-13-22(16-23)9-5-6-10-22/h7,12,19H,1,5-6,8-11,13-16H2,2-4H3
InChIKeyXTCQZLVAGIHWPQ-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.99
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 162829128?
The IUPAC name of CID 162829128 (CID 162829128) is not available.
What is the SMILES notation for CID 162829128?
The canonical SMILES for CID 162829128 is C=C(C)C1CCC2(C)C(=C(C)C=CC23CCC2(CCCC2)C3)C1.
What is the InChIKey of CID 162829128?
The InChIKey is XTCQZLVAGIHWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34/c1-17(2)19-8-11-21(4)20(15-19)18(3)7-12-23(21)14-13-22(16-23)9-5-6-10-22/h7,12,19H,1,5-6,8-11,13-16H2,2-4H3.
What are the key properties of CID 162829128?
CID 162829128 has a molecular weight of 310.53 g/mol, XLogP of 6.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162829128 is sourced from PubChem (CID 162829128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).