hexane;(Z)-pent-2-ene;tetrahydrate

C11H32O4 — CID 176555754

IUPAChexane;(Z)-pent-2-ene;tetrahydrate
SMILESC/C=C\CC.CCCCCC.O.O.O.O
InChIInChI=1S/C6H14.C5H10.4H2O/c1-3-5-6-4-2;1-3-5-4-2;;;;/h3-6H2,1-2H3;3,5H,4H2,1-2H3;4*1H2/b;5-3-;;;;
InChIKeyLIBSSOAUTIAWDF-NMWKCBCISA-N
MW228.37 g/mol
LogP1.26
Rot. Bonds4

About hexane;(Z)-pent-2-ene;tetrahydrate

hexane;(Z)-pent-2-ene;tetrahydrate (PubChem CID 176555754) has the molecular formula C11H32O4 and a molecular weight of 228.37 g/mol. Its IUPAC name is hexane;(Z)-pent-2-ene;tetrahydrate.

Molecular Properties

Compound Namehexane;(Z)-pent-2-ene;tetrahydrate
PubChem CID176555754
Molecular FormulaC11H32O4
Molecular Weight228.37 g/mol
Exact Mass228.23
IUPAC Namehexane;(Z)-pent-2-ene;tetrahydrate
SMILESC/C=C\CC.CCCCCC.O.O.O.O
InChIInChI=1S/C6H14.C5H10.4H2O/c1-3-5-6-4-2;1-3-5-4-2;;;;/h3-6H2,1-2H3;3,5H,4H2,1-2H3;4*1H2/b;5-3-;;;;
InChIKeyLIBSSOAUTIAWDF-NMWKCBCISA-N
XLogP1.26
TPSA126.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
germane;pent-2-ene
CID 174678272
CID 162303422
CID 162303422
(Z)-oct-2-ene
CID 5356796
hexane;(Z)-hex-2-ene
CID 159343029
ethane;ethene;(E)-pent-2-ene
CID 154666573
(Z)-icos-2-ene
CID 5352524
oct-2-ene;hydrochloride
CID 86744102
but-1-ene;(Z)-pent-2-ene
CID 156866422
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
hexane;tetrahydrate
CID 174107213

Frequently Asked Questions

What is the IUPAC name of hexane;(Z)-pent-2-ene;tetrahydrate?
The IUPAC name of hexane;(Z)-pent-2-ene;tetrahydrate (CID 176555754) is hexane;(Z)-pent-2-ene;tetrahydrate.
What is the SMILES notation for hexane;(Z)-pent-2-ene;tetrahydrate?
The canonical SMILES for hexane;(Z)-pent-2-ene;tetrahydrate is C/C=C\CC.CCCCCC.O.O.O.O.
What is the InChIKey of hexane;(Z)-pent-2-ene;tetrahydrate?
The InChIKey is LIBSSOAUTIAWDF-NMWKCBCISA-N. The full InChI is InChI=1S/C6H14.C5H10.4H2O/c1-3-5-6-4-2;1-3-5-4-2;;;;/h3-6H2,1-2H3;3,5H,4H2,1-2H3;4*1H2/b;5-3-;;;;.
What are the key properties of hexane;(Z)-pent-2-ene;tetrahydrate?
hexane;(Z)-pent-2-ene;tetrahydrate has a molecular weight of 228.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;(Z)-pent-2-ene;tetrahydrate is sourced from PubChem (CID 176555754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).