(7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol

C19H24O3 — CID 11551185

IUPAC(7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol
SMILESC[C@@H]1Cc2occ3c2C([C@@H](O)CC3)[C@@]1(C)CCc1ccoc1
InChIInChI=1S/C19H24O3/c1-12-9-16-17-14(11-22-16)3-4-15(20)18(17)19(12,2)7-5-13-6-8-21-10-13/h6,8,10-12,15,18,20H,3-5,7,9H2,1-2H3/t12-,15+,18?,19+/m1/s1
InChIKeyJEUMEIXMPGRZHR-IEZOYKAYSA-N
MW300.40 g/mol
LogP4.09
Rot. Bonds3

About (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol

(7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol (PubChem CID 11551185) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol.

Molecular Properties

Compound Name(7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol
PubChem CID11551185
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name(7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol
SMILESC[C@@H]1Cc2occ3c2C([C@@H](O)CC3)[C@@]1(C)CCc1ccoc1
InChIInChI=1S/C19H24O3/c1-12-9-16-17-14(11-22-16)3-4-15(20)18(17)19(12,2)7-5-13-6-8-21-10-13/h6,8,10-12,15,18,20H,3-5,7,9H2,1-2H3/t12-,15+,18?,19+/m1/s1
InChIKeyJEUMEIXMPGRZHR-IEZOYKAYSA-N
XLogP4.09
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol?
The IUPAC name of (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol (CID 11551185) is (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol.
What is the SMILES notation for (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol?
The canonical SMILES for (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol is C[C@@H]1Cc2occ3c2C([C@@H](O)CC3)[C@@]1(C)CCc1ccoc1.
What is the InChIKey of (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol?
The InChIKey is JEUMEIXMPGRZHR-IEZOYKAYSA-N. The full InChI is InChI=1S/C19H24O3/c1-12-9-16-17-14(11-22-16)3-4-15(20)18(17)19(12,2)7-5-13-6-8-21-10-13/h6,8,10-12,15,18,20H,3-5,7,9H2,1-2H3/t12-,15+,18?,19+/m1/s1.
What are the key properties of (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol?
(7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol has a molecular weight of 300.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9S,10R)-9-[2-(furan-3-yl)ethyl]-9,10-dimethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-7-ol is sourced from PubChem (CID 11551185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).