CID 18293435

C20H37NOW-2 — CID 18293435

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]C(C)(C)C.[CH2-]C(C)(C)C.[N]=O.[W]
InChIInChI=1S/C10H15.2C5H11.NO.W/c1-6-7(2)9(4)10(5)8(6)3;2*1-5(2,3)4;1-2;/h1-5H3;2*1H2,2-4H3;;/q;2*-1;;
InChIKeyOSYULXWHFZVCQV-UHFFFAOYSA-N
MW491.36 g/mol
LogP6.26
Rot. Bonds

About CID 18293435

CID 18293435 (PubChem CID 18293435) has the molecular formula C20H37NOW-2 and a molecular weight of 491.36 g/mol.

Molecular Properties

Compound NameCID 18293435
PubChem CID18293435
Molecular FormulaC20H37NOW-2
Molecular Weight491.36 g/mol
Exact Mass491.24
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]C(C)(C)C.[CH2-]C(C)(C)C.[N]=O.[W]
InChIInChI=1S/C10H15.2C5H11.NO.W/c1-6-7(2)9(4)10(5)8(6)3;2*1-5(2,3)4;1-2;/h1-5H3;2*1H2,2-4H3;;/q;2*-1;;
InChIKeyOSYULXWHFZVCQV-UHFFFAOYSA-N
XLogP6.26
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.36
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18293435?
The IUPAC name of CID 18293435 (CID 18293435) is not available.
What is the SMILES notation for CID 18293435?
The canonical SMILES for CID 18293435 is C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]C(C)(C)C.[CH2-]C(C)(C)C.[N]=O.[W].
What is the InChIKey of CID 18293435?
The InChIKey is OSYULXWHFZVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2C5H11.NO.W/c1-6-7(2)9(4)10(5)8(6)3;2*1-5(2,3)4;1-2;/h1-5H3;2*1H2,2-4H3;;/q;2*-1;;.
What are the key properties of CID 18293435?
CID 18293435 has a molecular weight of 491.36 g/mol, XLogP of 6.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18293435 is sourced from PubChem (CID 18293435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).