(Z)-but-2-ene;2,5-dimethylhexane

C12H26 — CID 144935211

IUPAC(Z)-but-2-ene;2,5-dimethylhexane
SMILESC/C=C\C.CC(C)CCC(C)C
InChIInChI=1S/C8H18.C4H8/c1-7(2)5-6-8(3)4;1-3-4-2/h7-8H,5-6H2,1-4H3;3-4H,1-2H3/b;4-3-
InChIKeyBXNHPGYEKHIWRJ-QGAMPUOQSA-N
MW170.34 g/mol
LogP4.66
Rot. Bonds3

About (Z)-but-2-ene;2,5-dimethylhexane

(Z)-but-2-ene;2,5-dimethylhexane (PubChem CID 144935211) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is (Z)-but-2-ene;2,5-dimethylhexane.

Molecular Properties

Compound Name(Z)-but-2-ene;2,5-dimethylhexane
PubChem CID144935211
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name(Z)-but-2-ene;2,5-dimethylhexane
SMILESC/C=C\C.CC(C)CCC(C)C
InChIInChI=1S/C8H18.C4H8/c1-7(2)5-6-8(3)4;1-3-4-2/h7-8H,5-6H2,1-4H3;3-4H,1-2H3/b;4-3-
InChIKeyBXNHPGYEKHIWRJ-QGAMPUOQSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
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

6-Methyl-1-heptene
CID 21122
3-Methyl-1-heptene
CID 20946
3,6-Dimethyl-1-heptene
CID 18443713
(3R)-3-methylhept-1-ene
CID 92171119
3-Methyl-1,7-octadiene
CID 524814
3,6-Dimethylocta-1,7-diene
CID 14946183
3-Ethenylhept-1-ene
CID 20498329
But-1-ene;3-methylhexane
CID 90948469
(3S)-3-methylhept-1-ene
CID 92171120
4-Methylnona-1,2,8-triene
CID 123806076
1-(2-Methylpentyl)-2,5-dihydroindigole
CID 141405730
Methylcyclopentane;prop-1-ene
CID 141791615

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;2,5-dimethylhexane?
The IUPAC name of (Z)-but-2-ene;2,5-dimethylhexane (CID 144935211) is (Z)-but-2-ene;2,5-dimethylhexane.
What is the SMILES notation for (Z)-but-2-ene;2,5-dimethylhexane?
The canonical SMILES for (Z)-but-2-ene;2,5-dimethylhexane is C/C=C\C.CC(C)CCC(C)C.
What is the InChIKey of (Z)-but-2-ene;2,5-dimethylhexane?
The InChIKey is BXNHPGYEKHIWRJ-QGAMPUOQSA-N. The full InChI is InChI=1S/C8H18.C4H8/c1-7(2)5-6-8(3)4;1-3-4-2/h7-8H,5-6H2,1-4H3;3-4H,1-2H3/b;4-3-.
What are the key properties of (Z)-but-2-ene;2,5-dimethylhexane?
(Z)-but-2-ene;2,5-dimethylhexane has a molecular weight of 170.34 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;2,5-dimethylhexane is sourced from PubChem (CID 144935211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).