6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol

C18H26F6O3 — CID 21053332

IUPAC6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol
SMILESCOCOC1(C(F)(F)F)CC2C3CC(C(C)C3C)C2CC(O)(C(F)(F)F)C1
InChIInChI=1S/C18H26F6O3/c1-9-10(2)12-4-11(9)13-5-15(25,17(19,20)21)7-16(6-14(12)13,18(22,23)24)27-8-26-3/h9-14,25H,4-8H2,1-3H3
InChIKeySZCLNURMFLFYTF-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.54
Rot. Bonds3

About 6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol

6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol (PubChem CID 21053332) has the molecular formula C18H26F6O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol.

Molecular Properties

Compound Name6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol
PubChem CID21053332
Molecular FormulaC18H26F6O3
Molecular Weight404.39 g/mol
Exact Mass404.18
IUPAC Name6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol
SMILESCOCOC1(C(F)(F)F)CC2C3CC(C(C)C3C)C2CC(O)(C(F)(F)F)C1
InChIInChI=1S/C18H26F6O3/c1-9-10(2)12-4-11(9)13-5-15(25,17(19,20)21)7-16(6-14(12)13,18(22,23)24)27-8-26-3/h9-14,25H,4-8H2,1-3H3
InChIKeySZCLNURMFLFYTF-UHFFFAOYSA-N
XLogP4.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol?
The IUPAC name of 6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol (CID 21053332) is 6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol.
What is the SMILES notation for 6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol?
The canonical SMILES for 6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol is COCOC1(C(F)(F)F)CC2C3CC(C(C)C3C)C2CC(O)(C(F)(F)F)C1.
What is the InChIKey of 6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol?
The InChIKey is SZCLNURMFLFYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F6O3/c1-9-10(2)12-4-11(9)13-5-15(25,17(19,20)21)7-16(6-14(12)13,18(22,23)24)27-8-26-3/h9-14,25H,4-8H2,1-3H3.
What are the key properties of 6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol?
6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol has a molecular weight of 404.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxy)-10,11-dimethyl-4,6-bis(trifluoromethyl)tricyclo[7.2.1.02,8]dodecan-4-ol is sourced from PubChem (CID 21053332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).