8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal

C16H26O2 — CID 145027666

IUPAC8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal
SMILESC=C(C)C=O.COC1(C)CC2CC1C1CCCC21
InChIInChI=1S/C12H20O.C4H6O/c1-12(13-2)7-8-6-11(12)10-5-3-4-9(8)10;1-4(2)3-5/h8-11H,3-7H2,1-2H3;3H,1H2,2H3
InChIKeyXPOAWDBTNCYRCH-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.61
Rot. Bonds2

About 8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal

8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal (PubChem CID 145027666) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal.

Molecular Properties

Compound Name8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal
PubChem CID145027666
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal
SMILESC=C(C)C=O.COC1(C)CC2CC1C1CCCC21
InChIInChI=1S/C12H20O.C4H6O/c1-12(13-2)7-8-6-11(12)10-5-3-4-9(8)10;1-4(2)3-5/h8-11H,3-7H2,1-2H3;3H,1H2,2H3
InChIKeyXPOAWDBTNCYRCH-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(acetyloxymethyl)prop-2-enoate
CID 58757986
(8-iodo-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 66596120
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
CID 54499262
(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) (2S)-2-tert-butyl-4,4-dimethylpentanoate
CID 70997730
1-(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-methylbut-3-en-2-one
CID 21045004
9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
CID 91591704
8-(1-methoxy-2-methylpropan-2-yl)-8-methyltricyclo[5.2.1.02,6]decane
CID 174350007
[8-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 58995539
8-ethyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386822
(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-(trifluoromethyl)prop-2-enoate
CID 58823592
(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate
CID 90805182

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal?
The IUPAC name of 8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal (CID 145027666) is 8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal.
What is the SMILES notation for 8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal?
The canonical SMILES for 8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal is C=C(C)C=O.COC1(C)CC2CC1C1CCCC21.
What is the InChIKey of 8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal?
The InChIKey is XPOAWDBTNCYRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O.C4H6O/c1-12(13-2)7-8-6-11(12)10-5-3-4-9(8)10;1-4(2)3-5/h8-11H,3-7H2,1-2H3;3H,1H2,2H3.
What are the key properties of 8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal?
8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal has a molecular weight of 250.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-8-methyltricyclo[5.2.1.02,6]decane;2-methylprop-2-enal is sourced from PubChem (CID 145027666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).