3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane

C24H42 — CID 155752490

IUPAC3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane
SMILESC=C(C)C1CCC(C)C2C3CCCCC(C)CCCC3CCC12C
InChIInChI=1S/C24H42/c1-17(2)22-14-13-19(4)23-21-12-7-6-9-18(3)10-8-11-20(21)15-16-24(22,23)5/h18-23H,1,6-16H2,2-5H3
InChIKeyVXBVBSXIFSDFQN-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.64
Rot. Bonds1

About 3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane

3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane (PubChem CID 155752490) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane.

Molecular Properties

Compound Name3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane
PubChem CID155752490
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane
SMILESC=C(C)C1CCC(C)C2C3CCCCC(C)CCCC3CCC12C
InChIInChI=1S/C24H42/c1-17(2)22-14-13-19(4)23-21-12-7-6-9-18(3)10-8-11-20(21)15-16-24(22,23)5/h18-23H,1,6-16H2,2-5H3
InChIKeyVXBVBSXIFSDFQN-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.64
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 3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane?
The IUPAC name of 3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane (CID 155752490) is 3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane.
What is the SMILES notation for 3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane?
The canonical SMILES for 3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane is C=C(C)C1CCC(C)C2C3CCCCC(C)CCCC3CCC12C.
What is the InChIKey of 3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane?
The InChIKey is VXBVBSXIFSDFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-17(2)22-14-13-19(4)23-21-12-7-6-9-18(3)10-8-11-20(21)15-16-24(22,23)5/h18-23H,1,6-16H2,2-5H3.
What are the key properties of 3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane?
3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane has a molecular weight of 330.60 g/mol, XLogP of 7.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,14-trimethyl-6-prop-1-en-2-yltricyclo[8.8.0.02,7]octadecane is sourced from PubChem (CID 155752490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).