3,3,6-trimethyloct-1-ene

C11H22 — CID 123906537

IUPAC3,3,6-trimethyloct-1-ene
SMILESC=CC(C)(C)CCC(C)CC
InChIInChI=1S/C11H22/c1-6-10(3)8-9-11(4,5)7-2/h7,10H,2,6,8-9H2,1,3-5H3
InChIKeyRTECNEGJKTWZMS-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds5

About 3,3,6-trimethyloct-1-ene

3,3,6-trimethyloct-1-ene (PubChem CID 123906537) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3,3,6-trimethyloct-1-ene.

Molecular Properties

Compound Name3,3,6-trimethyloct-1-ene
PubChem CID123906537
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3,3,6-trimethyloct-1-ene
SMILESC=CC(C)(C)CCC(C)CC
InChIInChI=1S/C11H22/c1-6-10(3)8-9-11(4,5)7-2/h7,10H,2,6,8-9H2,1,3-5H3
InChIKeyRTECNEGJKTWZMS-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,6,7,8-pentamethylnon-1-ene
CID 123898570
3,6,9-trimethylundecan-6-amine
CID 90972549
3,5,5,8-tetramethyldecane
CID 57491683
2,3,6-trimethyloctan-3-ol
CID 122367206
2,5-dimethyl-2-propylheptanenitrile
CID 176966575
2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine
CID 101446483
2,2,6-trimethyloctane
CID 522006
3,6,6,8-tetramethylundecane
CID 90718379
4,4,7-trimethylundec-1-ene
CID 143332601
2-methylbut-3-en-2-yl 3-methylpentyl carbonate
CID 139638871
5,8-dimethyldecan-5-yl prop-2-enoate
CID 175185909
3,6,6,9-tetramethylundecane-5,5-diol
CID 141261587

Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyloct-1-ene?
The IUPAC name of 3,3,6-trimethyloct-1-ene (CID 123906537) is 3,3,6-trimethyloct-1-ene.
What is the SMILES notation for 3,3,6-trimethyloct-1-ene?
The canonical SMILES for 3,3,6-trimethyloct-1-ene is C=CC(C)(C)CCC(C)CC.
What is the InChIKey of 3,3,6-trimethyloct-1-ene?
The InChIKey is RTECNEGJKTWZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-10(3)8-9-11(4,5)7-2/h7,10H,2,6,8-9H2,1,3-5H3.
What are the key properties of 3,3,6-trimethyloct-1-ene?
3,3,6-trimethyloct-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyloct-1-ene is sourced from PubChem (CID 123906537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).