(Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane

C28H66O — CID 145047321

IUPAC(Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane
SMILESC/C=C/CC.C/C=C\C.CC.CC.CC.CCC.CCCC/C=C(\C)CC.CO
InChIInChI=1S/C9H18.C5H10.C4H8.C3H8.3C2H6.CH4O/c1-4-6-7-8-9(3)5-2;1-3-5-4-2;1-3-4-2;1-3-2;4*1-2/h8H,4-7H2,1-3H3;3,5H,4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3;3*1-2H3;2H,1H3/b9-8+;5-3+;4-3-;;;;;
InChIKeyWLBCIDDIJYDXRA-QXOFAKJFSA-N
MW418.84 g/mol
LogP11.19
Rot. Bonds5

About (Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane

(Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane (PubChem CID 145047321) has the molecular formula C28H66O and a molecular weight of 418.84 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane
PubChem CID145047321
Molecular FormulaC28H66O
Molecular Weight418.84 g/mol
Exact Mass418.51
IUPAC Name(Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane
SMILESC/C=C/CC.C/C=C\C.CC.CC.CC.CCC.CCCC/C=C(\C)CC.CO
InChIInChI=1S/C9H18.C5H10.C4H8.C3H8.3C2H6.CH4O/c1-4-6-7-8-9(3)5-2;1-3-5-4-2;1-3-4-2;1-3-2;4*1-2/h8H,4-7H2,1-3H3;3,5H,4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3;3*1-2H3;2H,1H3/b9-8+;5-3+;4-3-;;;;;
InChIKeyWLBCIDDIJYDXRA-QXOFAKJFSA-N
XLogP11.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.84
LogP ≤ 511.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-3-methylnon-3-ene
CID 5364647
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
3-methyloctadec-3-ene
CID 91073568
6,11-dimethyltrideca-2,6,10-triene
CID 139931040
2-methyldec-2-ene;(E)-3-methyloct-3-ene
CID 158273122
hept-2-ene;methanol
CID 135236025
ethane;ethene;(Z)-3-methyldec-3-ene;(2E,5Z)-tetradeca-2,5-diene-6-thiol
CID 172567606
hexane;(Z)-pent-2-ene;tetrahydrate
CID 176555754
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane?
The IUPAC name of (Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane (CID 145047321) is (Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane.
What is the SMILES notation for (Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane?
The canonical SMILES for (Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane is C/C=C/CC.C/C=C\C.CC.CC.CC.CCC.CCCC/C=C(\C)CC.CO.
What is the InChIKey of (Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane?
The InChIKey is WLBCIDDIJYDXRA-QXOFAKJFSA-N. The full InChI is InChI=1S/C9H18.C5H10.C4H8.C3H8.3C2H6.CH4O/c1-4-6-7-8-9(3)5-2;1-3-5-4-2;1-3-4-2;1-3-2;4*1-2/h8H,4-7H2,1-3H3;3,5H,4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3;3*1-2H3;2H,1H3/b9-8+;5-3+;4-3-;;;;;.
What are the key properties of (Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane?
(Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane has a molecular weight of 418.84 g/mol, XLogP of 11.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;methanol;(E)-3-methyloct-3-ene;(E)-pent-2-ene;propane is sourced from PubChem (CID 145047321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).