3,3,4,4,5-pentamethylhex-1-ene

C11H22 — CID 23384855

IUPAC3,3,4,4,5-pentamethylhex-1-ene
SMILESC=CC(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C11H22/c1-8-10(4,5)11(6,7)9(2)3/h8-9H,1H2,2-7H3
InChIKeyPWBFVDARCVGSOZ-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.88
Rot. Bonds3

About 3,3,4,4,5-pentamethylhex-1-ene

3,3,4,4,5-pentamethylhex-1-ene (PubChem CID 23384855) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3,3,4,4,5-pentamethylhex-1-ene.

Molecular Properties

Compound Name3,3,4,4,5-pentamethylhex-1-ene
PubChem CID23384855
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3,3,4,4,5-pentamethylhex-1-ene
SMILESC=CC(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C11H22/c1-8-10(4,5)11(6,7)9(2)3/h8-9H,1H2,2-7H3
InChIKeyPWBFVDARCVGSOZ-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.88
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

2,2,3,3,4-pentamethylpentanal
CID 87784908
3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecamethylundeca-1,10-diene
CID 162304109
2,3,3-trimethylpent-4-en-2-ylsilane
CID 175326374
4-ethenyl-4-propan-2-ylhepta-1,6-diene
CID 23385053
2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane
CID 58764501
3,5,5-trimethyl-3-propan-2-ylhex-1-ene
CID 123318417
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene
CID 144582721
2,3,3-trimethyl-N-phosphanylpent-4-en-2-amine
CID 142059806
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
3,4-difluoro-3-methylpent-1-ene
CID 123355021

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5-pentamethylhex-1-ene?
The IUPAC name of 3,3,4,4,5-pentamethylhex-1-ene (CID 23384855) is 3,3,4,4,5-pentamethylhex-1-ene.
What is the SMILES notation for 3,3,4,4,5-pentamethylhex-1-ene?
The canonical SMILES for 3,3,4,4,5-pentamethylhex-1-ene is C=CC(C)(C)C(C)(C)C(C)C.
What is the InChIKey of 3,3,4,4,5-pentamethylhex-1-ene?
The InChIKey is PWBFVDARCVGSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-8-10(4,5)11(6,7)9(2)3/h8-9H,1H2,2-7H3.
What are the key properties of 3,3,4,4,5-pentamethylhex-1-ene?
3,3,4,4,5-pentamethylhex-1-ene has a molecular weight of 154.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5-pentamethylhex-1-ene is sourced from PubChem (CID 23384855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).