(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one

C17H24O5 — CID 10357921

IUPAC(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one
SMILESCOCOCC1=C(COCOC)[C@]23CCC[C@]12CC=CC3=O
InChIInChI=1S/C17H24O5/c1-19-11-21-9-13-14(10-22-12-20-2)17-8-4-7-16(13,17)6-3-5-15(17)18/h3,5H,4,6-12H2,1-2H3/t16-,17+/m1/s1
InChIKeyWOHPJXFEPBEGKW-SJORKVTESA-N
MW308.37 g/mol
LogP2.22
Rot. Bonds8

About (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one

(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one (PubChem CID 10357921) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one.

Molecular Properties

Compound Name(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one
PubChem CID10357921
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one
SMILESCOCOCC1=C(COCOC)[C@]23CCC[C@]12CC=CC3=O
InChIInChI=1S/C17H24O5/c1-19-11-21-9-13-14(10-22-12-20-2)17-8-4-7-16(13,17)6-3-5-15(17)18/h3,5H,4,6-12H2,1-2H3/t16-,17+/m1/s1
InChIKeyWOHPJXFEPBEGKW-SJORKVTESA-N
XLogP2.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2aS,5R,8aS)-5-(methoxymethoxy)-2,2,4a-trimethyl-2a,3,4,5-tetrahydro-1H-cyclobuta[i]inden-8-one
CID 134960747
(3aS,6R)-3a-[(3R,4R)-4-ethenyl-3-(methoxymethoxy)-4-methyl-6-oxohept-1-en-2-yl]-6,7-dimethyl-3,4,5,6-tetrahydro-2H-inden-1-one
CID 159817430

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one?
The IUPAC name of (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one (CID 10357921) is (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one.
What is the SMILES notation for (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one?
The canonical SMILES for (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one is COCOCC1=C(COCOC)[C@]23CCC[C@]12CC=CC3=O.
What is the InChIKey of (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one?
The InChIKey is WOHPJXFEPBEGKW-SJORKVTESA-N. The full InChI is InChI=1S/C17H24O5/c1-19-11-21-9-13-14(10-22-12-20-2)17-8-4-7-16(13,17)6-3-5-15(17)18/h3,5H,4,6-12H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one?
(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one has a molecular weight of 308.37 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-one is sourced from PubChem (CID 10357921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).