3,3-dimethylpent-1-ene;ethane

C11H26 — CID 142059460

IUPAC3,3-dimethylpent-1-ene;ethane
SMILESC=CC(C)(C)CC.CC.CC
InChIInChI=1S/C7H14.2C2H6/c1-5-7(3,4)6-2;2*1-2/h5H,1,6H2,2-4H3;2*1-2H3
InChIKeyJRGWMWZAVRGSPF-UHFFFAOYSA-N
MW158.33 g/mol
LogP4.66
Rot. Bonds2

About 3,3-dimethylpent-1-ene;ethane

3,3-dimethylpent-1-ene;ethane (PubChem CID 142059460) has the molecular formula C11H26 and a molecular weight of 158.33 g/mol. Its IUPAC name is 3,3-dimethylpent-1-ene;ethane.

Molecular Properties

Compound Name3,3-dimethylpent-1-ene;ethane
PubChem CID142059460
Molecular FormulaC11H26
Molecular Weight158.33 g/mol
Exact Mass158.20
IUPAC Name3,3-dimethylpent-1-ene;ethane
SMILESC=CC(C)(C)CC.CC.CC
InChIInChI=1S/C7H14.2C2H6/c1-5-7(3,4)6-2;2*1-2/h5H,1,6H2,2-4H3;2*1-2H3
InChIKeyJRGWMWZAVRGSPF-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.33
LogP ≤ 54.66
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

but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
CID 142056608
3,3,6,6-tetramethylocta-1,4-diene
CID 123152058
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
CID 158024808
3-aminopent-1-ene-3-thiol
CID 123736018
N,2,2-trimethylbut-3-en-1-amine
CID 55288138
3,3-difluorobut-1-ene;propane
CID 143721745
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene
CID 159832384
N-ethyl-3,3-dimethylpent-4-en-1-imine
CID 13119720
3,3,6-trimethyloct-1-ene
CID 123906537
magnesium;3-methylpent-1-en-3-olate;bromide
CID 177132358
tert-butyl(2,2-dimethylbut-3-enyl)silane
CID 123600607
3,3,6,6,9,9-hexamethyldeca-1,7-diene
CID 123209288

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpent-1-ene;ethane?
The IUPAC name of 3,3-dimethylpent-1-ene;ethane (CID 142059460) is 3,3-dimethylpent-1-ene;ethane.
What is the SMILES notation for 3,3-dimethylpent-1-ene;ethane?
The canonical SMILES for 3,3-dimethylpent-1-ene;ethane is C=CC(C)(C)CC.CC.CC.
What is the InChIKey of 3,3-dimethylpent-1-ene;ethane?
The InChIKey is JRGWMWZAVRGSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.2C2H6/c1-5-7(3,4)6-2;2*1-2/h5H,1,6H2,2-4H3;2*1-2H3.
What are the key properties of 3,3-dimethylpent-1-ene;ethane?
3,3-dimethylpent-1-ene;ethane has a molecular weight of 158.33 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpent-1-ene;ethane is sourced from PubChem (CID 142059460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).