(6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine

C10H18O — CID 132992193

IUPAC(6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine
SMILESCC1C/C=C\C(C)(C)OCC1
InChIInChI=1S/C10H18O/c1-9-5-4-7-10(2,3)11-8-6-9/h4,7,9H,5-6,8H2,1-3H3/b7-4-
InChIKeyBRKLPQYFTRLNQB-DAXSKMNVSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds

About (6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine

(6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine (PubChem CID 132992193) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine.

Molecular Properties

Compound Name(6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine
PubChem CID132992193
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine
SMILESCC1C/C=C\C(C)(C)OCC1
InChIInChI=1S/C10H18O/c1-9-5-4-7-10(2,3)11-8-6-9/h4,7,9H,5-6,8H2,1-3H3/b7-4-
InChIKeyBRKLPQYFTRLNQB-DAXSKMNVSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine?
The IUPAC name of (6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine (CID 132992193) is (6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine.
What is the SMILES notation for (6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine?
The canonical SMILES for (6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine is CC1C/C=C\C(C)(C)OCC1.
What is the InChIKey of (6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine?
The InChIKey is BRKLPQYFTRLNQB-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H18O/c1-9-5-4-7-10(2,3)11-8-6-9/h4,7,9H,5-6,8H2,1-3H3/b7-4-.
What are the key properties of (6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine?
(6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine has a molecular weight of 154.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4,8,8-trimethyl-2,3,4,5-tetrahydrooxocine is sourced from PubChem (CID 132992193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).