hex-2-ene;3-methylpentane

C12H26 — CID 161117572

IUPAChex-2-ene;3-methylpentane
SMILESCC=CCCC.CCC(C)CC
InChIInChI=1S/C6H14.C6H12/c1-4-6(3)5-2;1-3-5-6-4-2/h6H,4-5H2,1-3H3;3,5H,4,6H2,1-2H3
InChIKeyUKNCCEITSWANTC-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.81
Rot. Bonds4

About hex-2-ene;3-methylpentane

hex-2-ene;3-methylpentane (PubChem CID 161117572) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is hex-2-ene;3-methylpentane.

Molecular Properties

Compound Namehex-2-ene;3-methylpentane
PubChem CID161117572
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namehex-2-ene;3-methylpentane
SMILESCC=CCCC.CCC(C)CC
InChIInChI=1S/C6H14.C6H12/c1-4-6(3)5-2;1-3-5-6-4-2/h6H,4-5H2,1-3H3;3,5H,4,6H2,1-2H3
InChIKeyUKNCCEITSWANTC-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.81
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

ethane;(E)-hex-2-ene
CID 142405633
(6Z)-deca-2,6-diene
CID 159397578
butane;ethane;(E)-hex-2-ene
CID 143010099
but-2-ene;hex-2-ene;oct-4-ene;ruthenium
CID 161087465
(Z)-hex-2-ene;(E)-hex-2-ene;(E)-hex-3-ene
CID 173035981
hexane;(Z)-hex-2-ene
CID 159343029
(E)-5-methylhept-2-ene
CID 5364849
6-methylnon-2-ene
CID 21361194
acetic acid;(E)-hex-2-ene
CID 174958018
8-methyltridec-2-ene
CID 154258032
(2Z,5Z)-4-methylnona-2,5-diene
CID 144517565
acetaldehyde;hexane;bis((E)-hex-2-ene);pentane
CID 160632813

Frequently Asked Questions

What is the IUPAC name of hex-2-ene;3-methylpentane?
The IUPAC name of hex-2-ene;3-methylpentane (CID 161117572) is hex-2-ene;3-methylpentane.
What is the SMILES notation for hex-2-ene;3-methylpentane?
The canonical SMILES for hex-2-ene;3-methylpentane is CC=CCCC.CCC(C)CC.
What is the InChIKey of hex-2-ene;3-methylpentane?
The InChIKey is UKNCCEITSWANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C6H12/c1-4-6(3)5-2;1-3-5-6-4-2/h6H,4-5H2,1-3H3;3,5H,4,6H2,1-2H3.
What are the key properties of hex-2-ene;3-methylpentane?
hex-2-ene;3-methylpentane has a molecular weight of 170.34 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-2-ene;3-methylpentane is sourced from PubChem (CID 161117572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).