(3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene

C10H16O — CID 642953

IUPAC(3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene
SMILESCC1=CCCC(C)(C)[C@]12CO2
InChIInChI=1S/C10H16O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h5H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKeyWRHBBZJYOBNUII-JTQLQIEISA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

About (3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene

(3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene (PubChem CID 642953) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene.

Molecular Properties

Compound Name(3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene
PubChem CID642953
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene
SMILESCC1=CCCC(C)(C)[C@]12CO2
InChIInChI=1S/C10H16O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h5H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKeyWRHBBZJYOBNUII-JTQLQIEISA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 642949
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CID 12233157
CID 12233157
CID 585001
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CID 11768771
CID 11768771
CID 57201556
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CID 14758575
CID 14758575
CID 10931633
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CID 14086341
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CID 14086392
CID 14086392

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene?
The IUPAC name of (3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene (CID 642953) is (3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene.
What is the SMILES notation for (3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene?
The canonical SMILES for (3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene is CC1=CCCC(C)(C)[C@]12CO2.
What is the InChIKey of (3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene?
The InChIKey is WRHBBZJYOBNUII-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h5H,4,6-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene?
(3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene has a molecular weight of 152.24 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene is sourced from PubChem (CID 642953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).