(E)-4-methylpent-2-ene;propane

C9H20 — CID 142019888

IUPAC(E)-4-methylpent-2-ene;propane
SMILESC/C=C/C(C)C.CCC
InChIInChI=1S/C6H12.C3H8/c1-4-5-6(2)3;1-3-2/h4-6H,1-3H3;3H2,1-2H3/b5-4+;
InChIKeyWIDAFCNHAIZJCN-FXRZFVDSSA-N
MW128.26 g/mol
LogP3.63
Rot. Bonds1

About (E)-4-methylpent-2-ene;propane

(E)-4-methylpent-2-ene;propane (PubChem CID 142019888) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is (E)-4-methylpent-2-ene;propane.

Molecular Properties

Compound Name(E)-4-methylpent-2-ene;propane
PubChem CID142019888
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name(E)-4-methylpent-2-ene;propane
SMILESC/C=C/C(C)C.CCC
InChIInChI=1S/C6H12.C3H8/c1-4-5-6(2)3;1-3-2/h4-6H,1-3H3;3H2,1-2H3/b5-4+;
InChIKeyWIDAFCNHAIZJCN-FXRZFVDSSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.63
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-methylpent-2-ene
CID 12659
4,8-dimethylnona-2,6-diene
CID 54128177
(Z)-4-methylhept-2-ene
CID 5352649
(Z,3S,4S)-hept-5-ene-3,4-diol
CID 134854667
(E)-4-methylpent-2-ene;(E,4R)-oct-2-en-6-yn-4-olate;rubidium(1+)
CID 161486481
4-propan-2-ylhept-2-ene
CID 54114231
4-methyloct-2-ene
CID 528286
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(E,4R)-5-chloro-4-methylpent-2-ene
CID 163801787
(E)-hex-4-en-3-ol
CID 5366234
(E)-N,N-dipropylpent-3-en-2-amine
CID 121218071
methane;(E,4R)-4-propan-2-ylhept-2-ene
CID 158370601

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylpent-2-ene;propane?
The IUPAC name of (E)-4-methylpent-2-ene;propane (CID 142019888) is (E)-4-methylpent-2-ene;propane.
What is the SMILES notation for (E)-4-methylpent-2-ene;propane?
The canonical SMILES for (E)-4-methylpent-2-ene;propane is C/C=C/C(C)C.CCC.
What is the InChIKey of (E)-4-methylpent-2-ene;propane?
The InChIKey is WIDAFCNHAIZJCN-FXRZFVDSSA-N. The full InChI is InChI=1S/C6H12.C3H8/c1-4-5-6(2)3;1-3-2/h4-6H,1-3H3;3H2,1-2H3/b5-4+;.
What are the key properties of (E)-4-methylpent-2-ene;propane?
(E)-4-methylpent-2-ene;propane has a molecular weight of 128.26 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylpent-2-ene;propane is sourced from PubChem (CID 142019888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).