(1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene

C8H12O — CID 15576015

IUPAC(1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene
SMILESCO[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H12O/c1-9-8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7+,8+/m1/s1
InChIKeyRCDOWRWNYHNLLA-CSMHCCOUSA-N
MW124.18 g/mol
LogP1.60
Rot. Bonds1

About (1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene

(1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene (PubChem CID 15576015) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene
PubChem CID15576015
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene
SMILESCO[C@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H12O/c1-9-8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7+,8+/m1/s1
InChIKeyRCDOWRWNYHNLLA-CSMHCCOUSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.60
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

Bicyclo(2.2.1)hept-5-en-2-ol, 2-acetate
CID 95688
Bicyclo(2.2.1)hept-5-en-2-ol
CID 96066
5-Methoxybicyclo[2.2.1]hept-2-ene
CID 140197
(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 10986175
(1R*,2R*,4S*,5S*)-3-Oxa-tricyclo[3.2.1.02,4]oct-6-ene
CID 14017883
2-Norbornen-5-ol, formate
CID 548723
3-Oxatricyclo[3.2.1.02,4]oct-6-ene
CID 255191
(1S,2R,3R,4S)-3-deuteriobicyclo[2.2.1]hept-5-en-2-ol
CID 25241147
(1S,4R)-7,7-dimethoxybicyclo[2.2.1]hept-2-ene
CID 134890569
2,2-Dimethoxybicyclo[2.2.1]hept-5-ene
CID 12808735
7-[(2-Methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene
CID 12835247
2-Hydroxy-methylbicyclo[2.2.1]hept-5-ene
CID 13995035

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene (CID 15576015) is (1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene is CO[C@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene?
The InChIKey is RCDOWRWNYHNLLA-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H12O/c1-9-8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7+,8+/m1/s1.
What are the key properties of (1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene?
(1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene has a molecular weight of 124.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S)-5-methoxybicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 15576015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).