2,4-dimethylpent-1-ene;ethane

C11H26 — CID 143336990

IUPAC2,4-dimethylpent-1-ene;ethane
SMILESC=C(C)CC(C)C.CC.CC
InChIInChI=1S/C7H14.2C2H6/c1-6(2)5-7(3)4;2*1-2/h7H,1,5H2,2-4H3;2*1-2H3
InChIKeyJQAYPRIJERPNQS-UHFFFAOYSA-N
MW158.33 g/mol
LogP4.66
Rot. Bonds2

About 2,4-dimethylpent-1-ene;ethane

2,4-dimethylpent-1-ene;ethane (PubChem CID 143336990) has the molecular formula C11H26 and a molecular weight of 158.33 g/mol. Its IUPAC name is 2,4-dimethylpent-1-ene;ethane.

Molecular Properties

Compound Name2,4-dimethylpent-1-ene;ethane
PubChem CID143336990
Molecular FormulaC11H26
Molecular Weight158.33 g/mol
Exact Mass158.20
IUPAC Name2,4-dimethylpent-1-ene;ethane
SMILESC=C(C)CC(C)C.CC.CC
InChIInChI=1S/C7H14.2C2H6/c1-6(2)5-7(3)4;2*1-2/h7H,1,5H2,2-4H3;2*1-2H3
InChIKeyJQAYPRIJERPNQS-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

4-ethylidene-2,6-dimethylheptane
CID 102206987
2,3,4,6-tetramethylhepta-1,3-diene
CID 90973069
(3S)-3,5-dimethylhex-5-en-2-one
CID 45085211
(2S)-2,4-dimethylpent-4-ene-1-thiol
CID 89110247
2,5-dimethylhex-5-en-3-amine
CID 79177176
2,3,6-trimethyl-4-prop-1-en-2-ylhepta-1,6-diene
CID 91102055
6-methylhept-6-ene-2,4-diol
CID 57030596
2,6-dimethyl-4-methylideneoctane
CID 12567282
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
2,4,6,8-tetramethyl-6-(2-methylpropyl)non-1-ene
CID 21361186
(4R,6R)-2,8-dimethylnona-1,8-diene-4,6-diol
CID 134964814
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-1-ene;ethane?
The IUPAC name of 2,4-dimethylpent-1-ene;ethane (CID 143336990) is 2,4-dimethylpent-1-ene;ethane.
What is the SMILES notation for 2,4-dimethylpent-1-ene;ethane?
The canonical SMILES for 2,4-dimethylpent-1-ene;ethane is C=C(C)CC(C)C.CC.CC.
What is the InChIKey of 2,4-dimethylpent-1-ene;ethane?
The InChIKey is JQAYPRIJERPNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.2C2H6/c1-6(2)5-7(3)4;2*1-2/h7H,1,5H2,2-4H3;2*1-2H3.
What are the key properties of 2,4-dimethylpent-1-ene;ethane?
2,4-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 2,4-dimethylpent-1-ene;ethane is sourced from PubChem (CID 143336990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).