(3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene

C25H40 — CID 162422409

IUPAC(3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene
SMILESC=C1C2=C(C[C@@]3(C)CC[C@@H](C(C)C)[C@@H]3C2)[C@@H](C)CC[C@@H]2[C@@H]1CC[C@@H]2C
InChIInChI=1S/C25H40/c1-15(2)19-11-12-25(6)14-23-17(4)7-9-20-16(3)8-10-21(20)18(5)22(23)13-24(19)25/h15-17,19-21,24H,5,7-14H2,1-4,6H3/t16-,17-,19-,20-,21+,24-,25+/m0/s1
InChIKeyIEMJRSJGYNQVBY-CZYFTDBTSA-N
MW340.60 g/mol
LogP7.41
Rot. Bonds1

About (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene

(3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene (PubChem CID 162422409) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene.

Molecular Properties

Compound Name(3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene
PubChem CID162422409
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name(3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene
SMILESC=C1C2=C(C[C@@]3(C)CC[C@@H](C(C)C)[C@@H]3C2)[C@@H](C)CC[C@@H]2[C@@H]1CC[C@@H]2C
InChIInChI=1S/C25H40/c1-15(2)19-11-12-25(6)14-23-17(4)7-9-20-16(3)8-10-21(20)18(5)22(23)13-24(19)25/h15-17,19-21,24H,5,7-14H2,1-4,6H3/t16-,17-,19-,20-,21+,24-,25+/m0/s1
InChIKeyIEMJRSJGYNQVBY-CZYFTDBTSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene?
The IUPAC name of (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene (CID 162422409) is (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene.
What is the SMILES notation for (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene?
The canonical SMILES for (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene is C=C1C2=C(C[C@@]3(C)CC[C@@H](C(C)C)[C@@H]3C2)[C@@H](C)CC[C@@H]2[C@@H]1CC[C@@H]2C.
What is the InChIKey of (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene?
The InChIKey is IEMJRSJGYNQVBY-CZYFTDBTSA-N. The full InChI is InChI=1S/C25H40/c1-15(2)19-11-12-25(6)14-23-17(4)7-9-20-16(3)8-10-21(20)18(5)22(23)13-24(19)25/h15-17,19-21,24H,5,7-14H2,1-4,6H3/t16-,17-,19-,20-,21+,24-,25+/m0/s1.
What are the key properties of (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene?
(3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene has a molecular weight of 340.60 g/mol, XLogP of 7.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadec-1(11)-ene is sourced from PubChem (CID 162422409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).