(1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane

C20H34 — CID 164665814

IUPAC(1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane
SMILESCC(C)[C@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@H]3C(C)[C@H]3C[C@]132
InChIInChI=1S/C20H34/c1-12(2)17-8-9-19(5)10-16-13(3)6-7-15(16)14(4)18-11-20(17,18)19/h12-18H,6-11H2,1-5H3/t13-,14?,15+,16-,17-,18-,19-,20+/m1/s1
InChIKeyUELOXTFDDDOCBE-GNAZFFPYSA-N
MW274.49 g/mol
LogP5.77
Rot. Bonds1

About (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane

(1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane (PubChem CID 164665814) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane.

Molecular Properties

Compound Name(1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane
PubChem CID164665814
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name(1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane
SMILESCC(C)[C@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@H]3C(C)[C@H]3C[C@]132
InChIInChI=1S/C20H34/c1-12(2)17-8-9-19(5)10-16-13(3)6-7-15(16)14(4)18-11-20(17,18)19/h12-18H,6-11H2,1-5H3/t13-,14?,15+,16-,17-,18-,19-,20+/m1/s1
InChIKeyUELOXTFDDDOCBE-GNAZFFPYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane?
The IUPAC name of (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane (CID 164665814) is (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane.
What is the SMILES notation for (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane?
The canonical SMILES for (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane is CC(C)[C@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@H]3C(C)[C@H]3C[C@]132.
What is the InChIKey of (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane?
The InChIKey is UELOXTFDDDOCBE-GNAZFFPYSA-N. The full InChI is InChI=1S/C20H34/c1-12(2)17-8-9-19(5)10-16-13(3)6-7-15(16)14(4)18-11-20(17,18)19/h12-18H,6-11H2,1-5H3/t13-,14?,15+,16-,17-,18-,19-,20+/m1/s1.
What are the key properties of (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane?
(1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane has a molecular weight of 274.49 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane is sourced from PubChem (CID 164665814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).