(Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane

C32H70 — CID 143699555

IUPAC(Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane
SMILESC/C=C\C.C=C(C)C.CC.CC.CC1CCCC1.CCC.CCCCCC/C=C/C(C)C
InChIInChI=1S/C11H22.C6H12.2C4H8.C3H8.2C2H6/c1-4-5-6-7-8-9-10-11(2)3;1-6-4-2-3-5-6;1-4(2)3;1-3-4-2;1-3-2;2*1-2/h9-11H,4-8H2,1-3H3;6H,2-5H2,1H3;1H2,2-3H3;3-4H,1-2H3;3H2,1-2H3;2*1-2H3/b10-9+;;;4-3-;;;
InChIKeyPTDOUYVDRCWAJA-JZILTBDASA-N
MW454.91 g/mol
LogP13.00
Rot. Bonds6

About (Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane

(Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane (PubChem CID 143699555) has the molecular formula C32H70 and a molecular weight of 454.91 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane
PubChem CID143699555
Molecular FormulaC32H70
Molecular Weight454.91 g/mol
Exact Mass454.55
IUPAC Name(Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane
SMILESC/C=C\C.C=C(C)C.CC.CC.CC1CCCC1.CCC.CCCCCC/C=C/C(C)C
InChIInChI=1S/C11H22.C6H12.2C4H8.C3H8.2C2H6/c1-4-5-6-7-8-9-10-11(2)3;1-6-4-2-3-5-6;1-4(2)3;1-3-4-2;1-3-2;2*1-2/h9-11H,4-8H2,1-3H3;6H,2-5H2,1H3;1H2,2-3H3;3-4H,1-2H3;3H2,1-2H3;2*1-2H3/b10-9+;;;4-3-;;;
InChIKeyPTDOUYVDRCWAJA-JZILTBDASA-N
XLogP13.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.91
LogP ≤ 513.00
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

(Z)-2-methyloct-3-ene;octane
CID 159051061
(4E)-2,3-dimethyldodeca-1,4-diene;ethane
CID 145000899
ethane;tris(methylcyclohexane);octane
CID 142912940
2,11-dimethylhexadec-3-ene
CID 123962533
[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane
CID 101458379
butane;bis(hexane);bis(methylcyclopentane)
CID 162195101
non-1-enylcyclopentane
CID 86065492
(Z)-but-2-ene;ethane;methylcyclopentane
CID 145281333
undec-3-en-2-ol
CID 174515693
2-methylhexadeca-3,5-diene
CID 140995829
ethane;methylcyclopentane;propane
CID 142080084
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane?
The IUPAC name of (Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane (CID 143699555) is (Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane.
What is the SMILES notation for (Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane?
The canonical SMILES for (Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane is C/C=C\C.C=C(C)C.CC.CC.CC1CCCC1.CCC.CCCCCC/C=C/C(C)C.
What is the InChIKey of (Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane?
The InChIKey is PTDOUYVDRCWAJA-JZILTBDASA-N. The full InChI is InChI=1S/C11H22.C6H12.2C4H8.C3H8.2C2H6/c1-4-5-6-7-8-9-10-11(2)3;1-6-4-2-3-5-6;1-4(2)3;1-3-4-2;1-3-2;2*1-2/h9-11H,4-8H2,1-3H3;6H,2-5H2,1H3;1H2,2-3H3;3-4H,1-2H3;3H2,1-2H3;2*1-2H3/b10-9+;;;4-3-;;;.
What are the key properties of (Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane?
(Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane has a molecular weight of 454.91 g/mol, XLogP of 13.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;methylcyclopentane;(E)-2-methyldec-3-ene;2-methylprop-1-ene;propane is sourced from PubChem (CID 143699555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).