(1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene

C25H40 — CID 162422408

IUPAC(1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene
SMILESC/C1=C2\CC[C@H](C)[C@@H]2CC[C@@H](C)C2=C[C@@]3(C)CC[C@@H](C(C)C)[C@@H]3C[C@@H]21
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/h14-17,19-20,22,24H,7-13H2,1-6H3/b21-18-/t16-,17+,19-,20-,22+,24-,25+/m0/s1
InChIKeyWJFSKYAJAGIPQN-MFVFHCGCSA-N
MW340.60 g/mol
LogP7.41
Rot. Bonds1

About (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene

(1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene (PubChem CID 162422408) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene.

Molecular Properties

Compound Name(1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene
PubChem CID162422408
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name(1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene
SMILESC/C1=C2\CC[C@H](C)[C@@H]2CC[C@@H](C)C2=C[C@@]3(C)CC[C@@H](C(C)C)[C@@H]3C[C@@H]21
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/h14-17,19-20,22,24H,7-13H2,1-6H3/b21-18-/t16-,17+,19-,20-,22+,24-,25+/m0/s1
InChIKeyWJFSKYAJAGIPQN-MFVFHCGCSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene?
The IUPAC name of (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene (CID 162422408) is (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene.
What is the SMILES notation for (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene?
The canonical SMILES for (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene is C/C1=C2\CC[C@H](C)[C@@H]2CC[C@@H](C)C2=C[C@@]3(C)CC[C@@H](C(C)C)[C@@H]3C[C@@H]21.
What is the InChIKey of (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene?
The InChIKey is WJFSKYAJAGIPQN-MFVFHCGCSA-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/h14-17,19-20,22,24H,7-13H2,1-6H3/b21-18-/t16-,17+,19-,20-,22+,24-,25+/m0/s1.
What are the key properties of (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene?
(1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene 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 (1S,2Z,6S,7S,10R,13S,16S,17S)-2,6,10,13-tetramethyl-16-propan-2-yltetracyclo[9.7.0.03,7.013,17]octadeca-2,11-diene is sourced from PubChem (CID 162422408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).