CID 142491458

C17H24O2 — CID 142491458

IUPAC—
SMILESC[C@]12C[C@H](CC(=O)O)C3(CC3)CC1=CCCC21CC1
InChIInChI=1S/C17H24O2/c1-15-10-13(9-14(18)19)16(5-6-16)11-12(15)3-2-4-17(15)7-8-17/h3,13H,2,4-11H2,1H3,(H,18,19)/t13-,15-/m0/s1
InChIKeyHCFSTKPNMDVYGX-ZFWWWQNUSA-N
MW260.38 g/mol
LogP4.16
Rot. Bonds2

About CID 142491458

CID 142491458 (PubChem CID 142491458) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol.

Molecular Properties

Compound NameCID 142491458
PubChem CID142491458
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name—
SMILESC[C@]12C[C@H](CC(=O)O)C3(CC3)CC1=CCCC21CC1
InChIInChI=1S/C17H24O2/c1-15-10-13(9-14(18)19)16(5-6-16)11-12(15)3-2-4-17(15)7-8-17/h3,13H,2,4-11H2,1H3,(H,18,19)/t13-,15-/m0/s1
InChIKeyHCFSTKPNMDVYGX-ZFWWWQNUSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 142491458?
The IUPAC name of CID 142491458 (CID 142491458) is not available.
What is the SMILES notation for CID 142491458?
The canonical SMILES for CID 142491458 is C[C@]12C[C@H](CC(=O)O)C3(CC3)CC1=CCCC21CC1.
What is the InChIKey of CID 142491458?
The InChIKey is HCFSTKPNMDVYGX-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H24O2/c1-15-10-13(9-14(18)19)16(5-6-16)11-12(15)3-2-4-17(15)7-8-17/h3,13H,2,4-11H2,1H3,(H,18,19)/t13-,15-/m0/s1.
What are the key properties of CID 142491458?
CID 142491458 has a molecular weight of 260.38 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142491458 is sourced from PubChem (CID 142491458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).