(6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene

C11H16O — CID 11182804

IUPAC(6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
SMILESCC1=CC[C@@]2(CC=CCO2)CC1
InChIInChI=1S/C11H16O/c1-10-4-7-11(8-5-10)6-2-3-9-12-11/h2-4H,5-9H2,1H3/t11-/m0/s1
InChIKeyWCNZUWWYBAZDNU-NSHDSACASA-N
MW164.25 g/mol
LogP2.83
Rot. Bonds

About (6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene

(6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene (PubChem CID 11182804) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene.

Molecular Properties

Compound Name(6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
PubChem CID11182804
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
SMILESCC1=CC[C@@]2(CC=CCO2)CC1
InChIInChI=1S/C11H16O/c1-10-4-7-11(8-5-10)6-2-3-9-12-11/h2-4H,5-9H2,1H3/t11-/m0/s1
InChIKeyWCNZUWWYBAZDNU-NSHDSACASA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
6-Ethyl-2,10,10-trimethyl-1-oxaspiro[4.5]deca-3,6-diene
CID 22219099
Edulan I
CID 521066
2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-
CID 171338
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
1-Ethoxy-p-menth-2-ene
CID 92004572
(2S,8aR)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene
CID 6432427
(7R)-7-isopropenyl-4-methyl-1-oxaspiro[2.5]oct-4-ene
CID 24848739
1-Oxaspiro(5.5)undec-4-ene, 4-methyl-
CID 642949
4-Methyl-1-oxaspiro[5.5]undec-3-ene
CID 11116424

Frequently Asked Questions

What is the IUPAC name of (6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene?
The IUPAC name of (6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene (CID 11182804) is (6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene.
What is the SMILES notation for (6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene?
The canonical SMILES for (6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene is CC1=CC[C@@]2(CC=CCO2)CC1.
What is the InChIKey of (6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene?
The InChIKey is WCNZUWWYBAZDNU-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O/c1-10-4-7-11(8-5-10)6-2-3-9-12-11/h2-4H,5-9H2,1H3/t11-/m0/s1.
What are the key properties of (6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene?
(6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene has a molecular weight of 164.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene is sourced from PubChem (CID 11182804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).