CID 134901812

C17H24O4 — CID 134901812

IUPAC—
SMILESCOC(=O)[C@@H]1C2(CCC3C4(C=CC[C@@]31C)CC4)OCCO2
InChIInChI=1S/C17H24O4/c1-15-5-3-6-16(8-9-16)12(15)4-7-17(20-10-11-21-17)13(15)14(18)19-2/h3,6,12-13H,4-5,7-11H2,1-2H3/t12?,13-,15-/m0/s1
InChIKeyLMJOHSCVIHWWDQ-MHEXWIEDSA-N
MW292.38 g/mol
LogP2.68
Rot. Bonds1

About CID 134901812

CID 134901812 (PubChem CID 134901812) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol.

Molecular Properties

Compound NameCID 134901812
PubChem CID134901812
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name—
SMILESCOC(=O)[C@@H]1C2(CCC3C4(C=CC[C@@]31C)CC4)OCCO2
InChIInChI=1S/C17H24O4/c1-15-5-3-6-16(8-9-16)12(15)4-7-17(20-10-11-21-17)13(15)14(18)19-2/h3,6,12-13H,4-5,7-11H2,1-2H3/t12?,13-,15-/m0/s1
InChIKeyLMJOHSCVIHWWDQ-MHEXWIEDSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 134901812?
The IUPAC name of CID 134901812 (CID 134901812) is not available.
What is the SMILES notation for CID 134901812?
The canonical SMILES for CID 134901812 is COC(=O)[C@@H]1C2(CCC3C4(C=CC[C@@]31C)CC4)OCCO2.
What is the InChIKey of CID 134901812?
The InChIKey is LMJOHSCVIHWWDQ-MHEXWIEDSA-N. The full InChI is InChI=1S/C17H24O4/c1-15-5-3-6-16(8-9-16)12(15)4-7-17(20-10-11-21-17)13(15)14(18)19-2/h3,6,12-13H,4-5,7-11H2,1-2H3/t12?,13-,15-/m0/s1.
What are the key properties of CID 134901812?
CID 134901812 has a molecular weight of 292.38 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134901812 is sourced from PubChem (CID 134901812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).