(1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene

C9H12O — CID 101143800

IUPAC(1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESCOCC1=C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C9H12O/c1-10-6-9-5-7-2-3-8(9)4-7/h2-3,5,7-8H,4,6H2,1H3/t7-,8+/m1/s1
InChIKeyZJVYIAAXLJQWRN-SFYZADRCSA-N
MW136.19 g/mol
LogP1.77
Rot. Bonds2

About (1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene

(1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 101143800) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name(1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
PubChem CID101143800
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESCOCC1=C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C9H12O/c1-10-6-9-5-7-2-3-8(9)4-7/h2-3,5,7-8H,4,6H2,1H3/t7-,8+/m1/s1
InChIKeyZJVYIAAXLJQWRN-SFYZADRCSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.77
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

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CID 11367599
Hexahydrocyclopenta[c]pyran
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CID 555347
4-(3-Methylbut-2-enoxymethyl)cyclohexene
CID 132214576
4-(2-Methylprop-2-enoxymethyl)cyclohexene
CID 132214704
4-(But-2-enoxymethyl)cyclohexene
CID 141672466
(s)-4-(Prop-1-en-2-yl)-1-[(vinyloxy)methyl]cyclohex-1-ene
CID 12140153
Carbon monoxide;[methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379864
3-[(Z)-1,4-dimethoxybut-2-en-2-yl]cyclopentene
CID 101502255
(4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene
CID 162403390
[(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methyl acetate
CID 12463702
2-(Methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 13395058

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of (1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene (CID 101143800) is (1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for (1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for (1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene is COCC1=C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is ZJVYIAAXLJQWRN-SFYZADRCSA-N. The full InChI is InChI=1S/C9H12O/c1-10-6-9-5-7-2-3-8(9)4-7/h2-3,5,7-8H,4,6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene?
(1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 136.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 101143800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).