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

C17H26O5 — CID 10448108

IUPAC(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol
SMILESCOCOCC1=C(COCOC)[C@]23CCC[C@]12CC=CC3O
InChIInChI=1S/C17H26O5/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/h3,5,15,18H,4,6-12H2,1-2H3/t15?,16-,17+/m1/s1
InChIKeyIYHXBAGTBWNHIK-FGJGXXMFSA-N
MW310.39 g/mol
LogP2.02
Rot. Bonds8

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

(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol (PubChem CID 10448108) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol.

Molecular Properties

Compound Name(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol
PubChem CID10448108
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol
SMILESCOCOCC1=C(COCOC)[C@]23CCC[C@]12CC=CC3O
InChIInChI=1S/C17H26O5/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/h3,5,15,18H,4,6-12H2,1-2H3/t15?,16-,17+/m1/s1
InChIKeyIYHXBAGTBWNHIK-FGJGXXMFSA-N
XLogP2.02
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
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'}

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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-ol?
The IUPAC name of (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol (CID 10448108) is (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol.
What is the SMILES notation for (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol?
The canonical SMILES for (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol is COCOCC1=C(COCOC)[C@]23CCC[C@]12CC=CC3O.
What is the InChIKey of (1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol?
The InChIKey is IYHXBAGTBWNHIK-FGJGXXMFSA-N. The full InChI is InChI=1S/C17H26O5/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/h3,5,15,18H,4,6-12H2,1-2H3/t15?,16-,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-ol?
(1S,6S)-10,11-bis(methoxymethoxymethyl)tricyclo[4.3.2.01,6]undeca-3,10-dien-2-ol has a molecular weight of 310.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 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-ol is sourced from PubChem (CID 10448108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).