(1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene

C17H24O4 — CID 10424435

IUPAC(1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene
SMILESCOCOCC1=C(COCOC)[C@]23C=CC=C[C@]12CCC3
InChIInChI=1S/C17H24O4/c1-18-12-20-10-14-15(11-21-13-19-2)17-7-4-3-6-16(14,17)8-5-9-17/h3-4,6-7H,5,8-13H2,1-2H3/t16-,17+
InChIKeyPYCGMBFGDOHGBT-CALCHBBNSA-N
MW292.38 g/mol
LogP2.82
Rot. Bonds8

About (1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene

(1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene (PubChem CID 10424435) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene.

Molecular Properties

Compound Name(1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene
PubChem CID10424435
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene
SMILESCOCOCC1=C(COCOC)[C@]23C=CC=C[C@]12CCC3
InChIInChI=1S/C17H24O4/c1-18-12-20-10-14-15(11-21-13-19-2)17-7-4-3-6-16(14,17)8-5-9-17/h3-4,6-7H,5,8-13H2,1-2H3/t16-,17+
InChIKeyPYCGMBFGDOHGBT-CALCHBBNSA-N
XLogP2.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene
CID 139968513
(3E)-7-(methoxymethoxymethyl)-3-[1-(methoxymethoxy)propan-2-ylidene]-3a-methyl-4,5-dihydro-2H-indene
CID 139968517

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene?
The IUPAC name of (1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene (CID 10424435) is (1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene.
What is the SMILES notation for (1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene?
The canonical SMILES for (1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene is COCOCC1=C(COCOC)[C@]23C=CC=C[C@]12CCC3.
What is the InChIKey of (1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene?
The InChIKey is PYCGMBFGDOHGBT-CALCHBBNSA-N. The full InChI is InChI=1S/C17H24O4/c1-18-12-20-10-14-15(11-21-13-19-2)17-7-4-3-6-16(14,17)8-5-9-17/h3-4,6-7H,5,8-13H2,1-2H3/t16-,17+.
What are the key properties of (1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene?
(1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene has a molecular weight of 292.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-2,4,10-triene is sourced from PubChem (CID 10424435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).