(2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene

C17H22 — CID 24941984

IUPAC(2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene
SMILESC[C@@]12CC[C@]3(C)[C@H](C1)c1ccccc1C[C@]23C
InChIInChI=1S/C17H22/c1-15-8-9-16(2)14(11-15)13-7-5-4-6-12(13)10-17(15,16)3/h4-7,14H,8-11H2,1-3H3/t14-,15-,16-,17-/m1/s1
InChIKeyCYGWTDNYVDATHP-QBPKDAKJSA-N
MW226.36 g/mol
LogP4.54
Rot. Bonds

About (2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene

(2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene (PubChem CID 24941984) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene.

Molecular Properties

Compound Name(2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene
PubChem CID24941984
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name(2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene
SMILESC[C@@]12CC[C@]3(C)[C@H](C1)c1ccccc1C[C@]23C
InChIInChI=1S/C17H22/c1-15-8-9-16(2)14(11-15)13-7-5-4-6-12(13)10-17(15,16)3/h4-7,14H,8-11H2,1-3H3/t14-,15-,16-,17-/m1/s1
InChIKeyCYGWTDNYVDATHP-QBPKDAKJSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene?
The IUPAC name of (2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene (CID 24941984) is (2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene.
What is the SMILES notation for (2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene?
The canonical SMILES for (2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene is C[C@@]12CC[C@]3(C)[C@H](C1)c1ccccc1C[C@]23C.
What is the InChIKey of (2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene?
The InChIKey is CYGWTDNYVDATHP-QBPKDAKJSA-N. The full InChI is InChI=1S/C17H22/c1-15-8-9-16(2)14(11-15)13-7-5-4-6-12(13)10-17(15,16)3/h4-7,14H,8-11H2,1-3H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of (2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene?
(2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene has a molecular weight of 226.36 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,7R,8R)-4,7,8-trimethyltetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-triene is sourced from PubChem (CID 24941984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).