(1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene

C19H24 — CID 173440589

IUPAC(1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene
SMILESC[C@@]12CC[C@H]3C[C@]31[C@@H]1CCc3ccccc3[C@H]1CC2
InChIInChI=1S/C19H24/c1-18-10-8-14-12-19(14,18)17-7-6-13-4-2-3-5-15(13)16(17)9-11-18/h2-5,14,16-17H,6-12H2,1H3/t14-,16+,17+,18-,19+/m0/s1
InChIKeyTWOWAXCYSBXWBU-SXXASDTRSA-N
MW252.40 g/mol
LogP4.93
Rot. Bonds

About (1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene

(1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene (PubChem CID 173440589) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is (1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene.

Molecular Properties

Compound Name(1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene
PubChem CID173440589
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name(1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene
SMILESC[C@@]12CC[C@H]3C[C@]31[C@@H]1CCc3ccccc3[C@H]1CC2
InChIInChI=1S/C19H24/c1-18-10-8-14-12-19(14,18)17-7-6-13-4-2-3-5-15(13)16(17)9-11-18/h2-5,14,16-17H,6-12H2,1H3/t14-,16+,17+,18-,19+/m0/s1
InChIKeyTWOWAXCYSBXWBU-SXXASDTRSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene?
The IUPAC name of (1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene (CID 173440589) is (1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene.
What is the SMILES notation for (1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene?
The canonical SMILES for (1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene is C[C@@]12CC[C@H]3C[C@]31[C@@H]1CCc3ccccc3[C@H]1CC2.
What is the InChIKey of (1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene?
The InChIKey is TWOWAXCYSBXWBU-SXXASDTRSA-N. The full InChI is InChI=1S/C19H24/c1-18-10-8-14-12-19(14,18)17-7-6-13-4-2-3-5-15(13)16(17)9-11-18/h2-5,14,16-17H,6-12H2,1H3/t14-,16+,17+,18-,19+/m0/s1.
What are the key properties of (1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene?
(1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene has a molecular weight of 252.40 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene is sourced from PubChem (CID 173440589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).