3,3,5,5-tetramethyloct-1-ene

C12H24 — CID 71373332

IUPAC3,3,5,5-tetramethyloct-1-ene
SMILESC=CC(C)(C)CC(C)(C)CCC
InChIInChI=1S/C12H24/c1-7-9-12(5,6)10-11(3,4)8-2/h8H,2,7,9-10H2,1,3-6H3
InChIKeyDTCZMGRTMQFLCX-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

About 3,3,5,5-tetramethyloct-1-ene

3,3,5,5-tetramethyloct-1-ene (PubChem CID 71373332) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3,3,5,5-tetramethyloct-1-ene.

Molecular Properties

Compound Name3,3,5,5-tetramethyloct-1-ene
PubChem CID71373332
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3,3,5,5-tetramethyloct-1-ene
SMILESC=CC(C)(C)CC(C)(C)CCC
InChIInChI=1S/C12H24/c1-7-9-12(5,6)10-11(3,4)8-2/h8H,2,7,9-10H2,1,3-6H3
InChIKeyDTCZMGRTMQFLCX-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
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 3,3,5,5-tetramethyloct-1-ene?
The IUPAC name of 3,3,5,5-tetramethyloct-1-ene (CID 71373332) is 3,3,5,5-tetramethyloct-1-ene.
What is the SMILES notation for 3,3,5,5-tetramethyloct-1-ene?
The canonical SMILES for 3,3,5,5-tetramethyloct-1-ene is C=CC(C)(C)CC(C)(C)CCC.
What is the InChIKey of 3,3,5,5-tetramethyloct-1-ene?
The InChIKey is DTCZMGRTMQFLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-7-9-12(5,6)10-11(3,4)8-2/h8H,2,7,9-10H2,1,3-6H3.
What are the key properties of 3,3,5,5-tetramethyloct-1-ene?
3,3,5,5-tetramethyloct-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyloct-1-ene is sourced from PubChem (CID 71373332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).