3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene

C20H32 — CID 139583500

IUPAC3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene
SMILESCC1=CCC2=C(C(C)C)CCC2(C)CC2C(C)CCC12
InChIInChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,13,15,17-18H,6,8-12H2,1-5H3
InChIKeyMYDLOFPLBYJMQD-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.14
Rot. Bonds1

About 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene

3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene (PubChem CID 139583500) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene.

Molecular Properties

Compound Name3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene
PubChem CID139583500
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene
SMILESCC1=CCC2=C(C(C)C)CCC2(C)CC2C(C)CCC12
InChIInChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,13,15,17-18H,6,8-12H2,1-5H3
InChIKeyMYDLOFPLBYJMQD-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene?
The IUPAC name of 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene (CID 139583500) is 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene.
What is the SMILES notation for 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene?
The canonical SMILES for 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene is CC1=CCC2=C(C(C)C)CCC2(C)CC2C(C)CCC12.
What is the InChIKey of 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene?
The InChIKey is MYDLOFPLBYJMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,13,15,17-18H,6,8-12H2,1-5H3.
What are the key properties of 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene?
3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene has a molecular weight of 272.48 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-6,9-diene is sourced from PubChem (CID 139583500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).