(1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene

C15H24O2 — CID 134982977

IUPAC(1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
SMILESCOCC1=C[C@@]2(OC(C)C)C=C[C@@H]1CCCC2
InChIInChI=1S/C15H24O2/c1-12(2)17-15-8-5-4-6-13(7-9-15)14(10-15)11-16-3/h7,9-10,12-13H,4-6,8,11H2,1-3H3/t13-,15-/m0/s1
InChIKeyHBRHYGRKTZVTOX-ZFWWWQNUSA-N
MW236.36 g/mol
LogP3.48
Rot. Bonds4

About (1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene

(1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene (PubChem CID 134982977) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene.

Molecular Properties

Compound Name(1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
PubChem CID134982977
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name(1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
SMILESCOCC1=C[C@@]2(OC(C)C)C=C[C@@H]1CCCC2
InChIInChI=1S/C15H24O2/c1-12(2)17-15-8-5-4-6-13(7-9-15)14(10-15)11-16-3/h7,9-10,12-13H,4-6,8,11H2,1-3H3/t13-,15-/m0/s1
InChIKeyHBRHYGRKTZVTOX-ZFWWWQNUSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Bisabolene oxide
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CID 100982633
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
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cis-3-Ethoxy-p-menth-1-ene
CID 85842332
(2S,4S,4aS,8aS)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 15484403
(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
3-[1-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-6,6-dimethyl-3H-1,2-dioxine
CID 163042006
(2R,5S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-5-prop-1-en-2-yloxolane
CID 163046295

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
The IUPAC name of (1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene (CID 134982977) is (1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene.
What is the SMILES notation for (1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
The canonical SMILES for (1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene is COCC1=C[C@@]2(OC(C)C)C=C[C@@H]1CCCC2.
What is the InChIKey of (1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
The InChIKey is HBRHYGRKTZVTOX-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)17-15-8-5-4-6-13(7-9-15)14(10-15)11-16-3/h7,9-10,12-13H,4-6,8,11H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of (1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene?
(1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene has a molecular weight of 236.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-7-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene is sourced from PubChem (CID 134982977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).