(2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene

C15H22O — CID 163058112

IUPAC(2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
SMILESC=C1C[C@H](C=C(C)C)O[C@]12CC=C(C)CC2
InChIInChI=1S/C15H22O/c1-11(2)9-14-10-13(4)15(16-14)7-5-12(3)6-8-15/h5,9,14H,4,6-8,10H2,1-3H3/t14-,15-/m0/s1
InChIKeyDMWIBWPAOJKKQP-GJZGRUSLSA-N
MW218.34 g/mol
LogP4.17
Rot. Bonds1

About (2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene

(2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene (PubChem CID 163058112) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name(2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
PubChem CID163058112
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
SMILESC=C1C[C@H](C=C(C)C)O[C@]12CC=C(C)CC2
InChIInChI=1S/C15H22O/c1-11(2)9-14-10-13(4)15(16-14)7-5-12(3)6-8-15/h5,9,14H,4,6-8,10H2,1-3H3/t14-,15-/m0/s1
InChIKeyDMWIBWPAOJKKQP-GJZGRUSLSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.17
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

Theaspirane
CID 61953
Vitispirane
CID 6450832
2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
2,3,3a,4,5,7a-Hexahydro-3,6-dimethylbenzofuran
CID 586292
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
6-Oxabicyclo(3.2.1)oct-3-ene, 4,7,7-trimethyl-
CID 101153
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
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
2H-Pyran, 3,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990786
Bisabolene oxide
CID 56842615

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene?
The IUPAC name of (2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene (CID 163058112) is (2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene.
What is the SMILES notation for (2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene?
The canonical SMILES for (2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene is C=C1C[C@H](C=C(C)C)O[C@]12CC=C(C)CC2.
What is the InChIKey of (2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene?
The InChIKey is DMWIBWPAOJKKQP-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)9-14-10-13(4)15(16-14)7-5-12(3)6-8-15/h5,9,14H,4,6-8,10H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene?
(2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene has a molecular weight of 218.34 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 163058112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).