(6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one

C15H22O — CID 71393641

IUPAC(6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one
SMILESCC1=CC[C@]2(CC1)C(C)=CC(=O)CC2(C)C
InChIInChI=1S/C15H22O/c1-11-5-7-15(8-6-11)12(2)9-13(16)10-14(15,3)4/h5,9H,6-8,10H2,1-4H3/t15-/m0/s1
InChIKeySNJATGMAHZJTNR-HNNXBMFYSA-N
MW218.34 g/mol
LogP4.05
Rot. Bonds

About (6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one

(6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one (PubChem CID 71393641) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one.

Molecular Properties

Compound Name(6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one
PubChem CID71393641
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one
SMILESCC1=CC[C@]2(CC1)C(C)=CC(=O)CC2(C)C
InChIInChI=1S/C15H22O/c1-11-5-7-15(8-6-11)12(2)9-13(16)10-14(15,3)4/h5,9H,6-8,10H2,1-4H3/t15-/m0/s1
InChIKeySNJATGMAHZJTNR-HNNXBMFYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.05
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

(6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
CID 162935179
9-bromo-10-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
CID 14108773
(4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
CID 139584005
(3S,4S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
CID 14108768
2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
CID 85290962
3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
CID 25136706
1-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 76962993
4-methyl-1-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid
CID 14806091
3,4,4,6,6-pentamethylcyclohept-2-en-1-one
CID 145158727
2-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undeca-1,9-dien-3-one
CID 162815203
(1R)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one
CID 70976594
4-(fluoromethyl)-1,4-dimethylcyclohexene
CID 123219541

Frequently Asked Questions

What is the IUPAC name of (6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one?
The IUPAC name of (6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one (CID 71393641) is (6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one.
What is the SMILES notation for (6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one?
The canonical SMILES for (6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one is CC1=CC[C@]2(CC1)C(C)=CC(=O)CC2(C)C.
What is the InChIKey of (6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one?
The InChIKey is SNJATGMAHZJTNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22O/c1-11-5-7-15(8-6-11)12(2)9-13(16)10-14(15,3)4/h5,9H,6-8,10H2,1-4H3/t15-/m0/s1.
What are the key properties of (6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one?
(6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one has a molecular weight of 218.34 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one is sourced from PubChem (CID 71393641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).