(1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

C19H26O — CID 170191844

IUPAC(1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)C(C)CC3
InChIInChI=1S/C19H26O/c1-13-8-10-19-9-4-3-5-17(19)16(13)11-14-6-7-15(20-2)12-18(14)19/h6-7,12-13,16-17H,3-5,8-11H2,1-2H3/t13?,16-,17?,19+/m1/s1
InChIKeyOQQOGYFXOMTGSA-LEOAPTONSA-N
MW270.42 g/mol
LogP4.73
Rot. Bonds1

About (1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

(1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (PubChem CID 170191844) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is (1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
PubChem CID170191844
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name(1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)C(C)CC3
InChIInChI=1S/C19H26O/c1-13-8-10-19-9-4-3-5-17(19)16(13)11-14-6-7-15(20-2)12-18(14)19/h6-7,12-13,16-17H,3-5,8-11H2,1-2H3/t13?,16-,17?,19+/m1/s1
InChIKeyOQQOGYFXOMTGSA-LEOAPTONSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The IUPAC name of (1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (CID 170191844) is (1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.
What is the SMILES notation for (1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The canonical SMILES for (1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene is COc1ccc2c(c1)[C@]13CCCCC1[C@H](C2)C(C)CC3.
What is the InChIKey of (1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The InChIKey is OQQOGYFXOMTGSA-LEOAPTONSA-N. The full InChI is InChI=1S/C19H26O/c1-13-8-10-19-9-4-3-5-17(19)16(13)11-14-6-7-15(20-2)12-18(14)19/h6-7,12-13,16-17H,3-5,8-11H2,1-2H3/t13?,16-,17?,19+/m1/s1.
What are the key properties of (1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
(1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene has a molecular weight of 270.42 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-4-methoxy-17-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene is sourced from PubChem (CID 170191844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).