3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene

C23H46 — CID 59961467

IUPAC3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene
SMILESC=CC(C)(CCCC(C)CCCC(C)CCCC(C)C)C(C)C
InChIInChI=1S/C23H46/c1-9-23(8,20(4)5)18-12-17-22(7)16-11-15-21(6)14-10-13-19(2)3/h9,19-22H,1,10-18H2,2-8H3
InChIKeyHUDQETCRKCXKAR-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.27
Rot. Bonds14

About 3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene

3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene (PubChem CID 59961467) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene.

Molecular Properties

Compound Name3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene
PubChem CID59961467
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene
SMILESC=CC(C)(CCCC(C)CCCC(C)CCCC(C)C)C(C)C
InChIInChI=1S/C23H46/c1-9-23(8,20(4)5)18-12-17-22(7)16-11-15-21(6)14-10-13-19(2)3/h9,19-22H,1,10-18H2,2-8H3
InChIKeyHUDQETCRKCXKAR-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.27
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 3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene?
The IUPAC name of 3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene (CID 59961467) is 3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene.
What is the SMILES notation for 3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene?
The canonical SMILES for 3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene is C=CC(C)(CCCC(C)CCCC(C)CCCC(C)C)C(C)C.
What is the InChIKey of 3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene?
The InChIKey is HUDQETCRKCXKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-9-23(8,20(4)5)18-12-17-22(7)16-11-15-21(6)14-10-13-19(2)3/h9,19-22H,1,10-18H2,2-8H3.
What are the key properties of 3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene?
3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene has a molecular weight of 322.62 g/mol, XLogP of 8.27, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethyl-3-propan-2-ylhexadec-1-ene is sourced from PubChem (CID 59961467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).