(5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene

C12H18O — CID 134857918

IUPAC(5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene
SMILESCC1=C(C)[C@]2(CC=CO2)CC[C@@H]1C
InChIInChI=1S/C12H18O/c1-9-5-7-12(6-4-8-13-12)11(3)10(9)2/h4,8-9H,5-7H2,1-3H3/t9-,12-/m0/s1
InChIKeyQKYGTCCTVZMHEH-CABZTGNLSA-N
MW178.28 g/mol
LogP3.43
Rot. Bonds

About (5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene

(5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene (PubChem CID 134857918) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene.

Molecular Properties

Compound Name(5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene
PubChem CID134857918
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene
SMILESCC1=C(C)[C@]2(CC=CO2)CC[C@@H]1C
InChIInChI=1S/C12H18O/c1-9-5-7-12(6-4-8-13-12)11(3)10(9)2/h4,8-9H,5-7H2,1-3H3/t9-,12-/m0/s1
InChIKeyQKYGTCCTVZMHEH-CABZTGNLSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.43
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

1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
Bisabolene oxide
CID 56842615
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
1-(1-Methoxy-1-methylethyl)-4-methyl-1-cyclohexene
CID 377296
(7R)-7-isopropenyl-4-methyl-1-oxaspiro[2.5]oct-4-ene
CID 24848739
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
(7S)-3,7-dimethyl-7-[(1S)-4-methylcyclohex-3-en-1-yl]-5,6-dihydro-2H-oxepine
CID 162996031
(7R)-3,7-dimethyl-7-[(1R)-4-methylcyclohex-3-en-1-yl]-5,6-dihydro-2H-oxepine
CID 162996033
4-butyl-5,5-dimethyl-3-prop-2-enyl-2H-furan
CID 102371046
9-Methyl-6-oxaspiro[4.5]dec-8-ene
CID 642972
(6R)-6-pentyl-6-prop-2-enyl-2,5-dihydropyran
CID 12103745
4-Pentyl-4-prop-2-enoxycyclopentene
CID 12103747

Frequently Asked Questions

What is the IUPAC name of (5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene?
The IUPAC name of (5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene (CID 134857918) is (5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene.
What is the SMILES notation for (5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene?
The canonical SMILES for (5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene is CC1=C(C)[C@]2(CC=CO2)CC[C@@H]1C.
What is the InChIKey of (5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene?
The InChIKey is QKYGTCCTVZMHEH-CABZTGNLSA-N. The full InChI is InChI=1S/C12H18O/c1-9-5-7-12(6-4-8-13-12)11(3)10(9)2/h4,8-9H,5-7H2,1-3H3/t9-,12-/m0/s1.
What are the key properties of (5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene?
(5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene has a molecular weight of 178.28 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-6,7,8-trimethyl-1-oxaspiro[4.5]deca-2,6-diene is sourced from PubChem (CID 134857918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).