1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane

C21H36O — CID 163557045

IUPAC1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane
SMILESCCC12CCC3(C)CCCC(OC)(C1)C1CCCC3CC2C1
InChIInChI=1S/C21H36O/c1-4-20-12-11-19(2)9-6-10-21(15-20,22-3)17-8-5-7-16(19)13-18(20)14-17/h16-18H,4-15H2,1-3H3
InChIKeyFNYRTIMXGYDFHA-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.97
Rot. Bonds2

About 1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane

1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane (PubChem CID 163557045) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane.

Molecular Properties

Compound Name1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane
PubChem CID163557045
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane
SMILESCCC12CCC3(C)CCCC(OC)(C1)C1CCCC3CC2C1
InChIInChI=1S/C21H36O/c1-4-20-12-11-19(2)9-6-10-21(15-20,22-3)17-8-5-7-16(19)13-18(20)14-17/h16-18H,4-15H2,1-3H3
InChIKeyFNYRTIMXGYDFHA-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane?
The IUPAC name of 1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane (CID 163557045) is 1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane.
What is the SMILES notation for 1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane?
The canonical SMILES for 1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane is CCC12CCC3(C)CCCC(OC)(C1)C1CCCC3CC2C1.
What is the InChIKey of 1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane?
The InChIKey is FNYRTIMXGYDFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-4-20-12-11-19(2)9-6-10-21(15-20,22-3)17-8-5-7-16(19)13-18(20)14-17/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane?
1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane has a molecular weight of 304.52 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-methoxy-13-methyltetracyclo[7.6.1.12,8.04,13]heptadecane is sourced from PubChem (CID 163557045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).