(1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane

C19H26O3 — CID 11012104

IUPAC(1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane
SMILESC=C[C@H]1C[C@H](OCc2ccccc2)[C@H]2C[C@@H]1C[C@H]2OCOC
InChIInChI=1S/C19H26O3/c1-3-15-10-18(21-12-14-7-5-4-6-8-14)17-9-16(15)11-19(17)22-13-20-2/h3-8,15-19H,1,9-13H2,2H3/t15-,16+,17+,18-,19+/m0/s1
InChIKeySZVGSWFJYSMRTE-BRIYLRKRSA-N
MW302.41 g/mol
LogP3.79
Rot. Bonds7

About (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane

(1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane (PubChem CID 11012104) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane
PubChem CID11012104
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane
SMILESC=C[C@H]1C[C@H](OCc2ccccc2)[C@H]2C[C@@H]1C[C@H]2OCOC
InChIInChI=1S/C19H26O3/c1-3-15-10-18(21-12-14-7-5-4-6-8-14)17-9-16(15)11-19(17)22-13-20-2/h3-8,15-19H,1,9-13H2,2H3/t15-,16+,17+,18-,19+/m0/s1
InChIKeySZVGSWFJYSMRTE-BRIYLRKRSA-N
XLogP3.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane with MolForge

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Related Compounds

[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane
CID 11771197
tert-butyl (2R,3R,4R,5R)-2-ethenyl-5-(methoxymethoxy)-3,4-bis(phenylmethoxy)piperidine-1-carboxylate
CID 11352172
(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
CID 46914368
2-[(2R)-2-(methoxymethoxy)cyclopropyl]ethenylsulfonylbenzene
CID 134861174
5-ethenyl-2,3-bis(phenylmethoxymethyl)bicyclo[2.2.1]heptane
CID 75576644
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(1R,2S,5R,6R)-5-(methoxymethoxy)-2-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptane
CID 101477370
(1R,2S,5S,6R)-5-(methoxymethoxy)-2-phenylmethoxy-3,7-dioxabicyclo[4.1.0]heptane
CID 100974809
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
(3aR,4R,7S,7aR)-4-(methoxymethoxy)-7-phenylmethoxy-3,3a,4,5,7,7a-hexahydrofuro[2,3-c]pyran-2-one
CID 101477369
[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane?
The IUPAC name of (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane (CID 11012104) is (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane?
The canonical SMILES for (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane is C=C[C@H]1C[C@H](OCc2ccccc2)[C@H]2C[C@@H]1C[C@H]2OCOC.
What is the InChIKey of (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane?
The InChIKey is SZVGSWFJYSMRTE-BRIYLRKRSA-N. The full InChI is InChI=1S/C19H26O3/c1-3-15-10-18(21-12-14-7-5-4-6-8-14)17-9-16(15)11-19(17)22-13-20-2/h3-8,15-19H,1,9-13H2,2H3/t15-,16+,17+,18-,19+/m0/s1.
What are the key properties of (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane?
(1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane has a molecular weight of 302.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5R,6R)-2-ethenyl-6-(methoxymethoxy)-4-phenylmethoxybicyclo[3.2.1]octane is sourced from PubChem (CID 11012104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).