(1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene

C25H40 — CID 102515469

IUPAC(1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene
SMILESC=C(C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)C/C=C(\C)CC/C=C(\C)CC[C@H]12
InChIInChI=1S/C25H40/c1-18(2)21-13-17-25(6)22(21)14-16-24(5)15-12-20(4)9-7-8-19(3)10-11-23(24)25/h8,12,21-23H,1,7,9-11,13-17H2,2-6H3/b19-8+,20-12+/t21-,22-,23-,24+,25-/m1/s1
InChIKeyJFQLHYSXZPELNV-LNYIGJDBSA-N
MW340.60 g/mol
LogP7.87
Rot. Bonds1

About (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene

(1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene (PubChem CID 102515469) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene.

Molecular Properties

Compound Name(1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene
PubChem CID102515469
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name(1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene
SMILESC=C(C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)C/C=C(\C)CC/C=C(\C)CC[C@H]12
InChIInChI=1S/C25H40/c1-18(2)21-13-17-25(6)22(21)14-16-24(5)15-12-20(4)9-7-8-19(3)10-11-23(24)25/h8,12,21-23H,1,7,9-11,13-17H2,2-6H3/b19-8+,20-12+/t21-,22-,23-,24+,25-/m1/s1
InChIKeyJFQLHYSXZPELNV-LNYIGJDBSA-N
XLogP7.87
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 ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene?
The IUPAC name of (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene (CID 102515469) is (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene.
What is the SMILES notation for (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene?
The canonical SMILES for (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene is C=C(C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)C/C=C(\C)CC/C=C(\C)CC[C@H]12.
What is the InChIKey of (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene?
The InChIKey is JFQLHYSXZPELNV-LNYIGJDBSA-N. The full InChI is InChI=1S/C25H40/c1-18(2)21-13-17-25(6)22(21)14-16-24(5)15-12-20(4)9-7-8-19(3)10-11-23(24)25/h8,12,21-23H,1,7,9-11,13-17H2,2-6H3/b19-8+,20-12+/t21-,22-,23-,24+,25-/m1/s1.
What are the key properties of (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene?
(1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene has a molecular weight of 340.60 g/mol, XLogP of 7.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3E,7E,11R,12R,15S,16R)-1,4,8,12-tetramethyl-15-prop-1-en-2-yltricyclo[9.7.0.012,16]octadeca-3,7-diene is sourced from PubChem (CID 102515469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).