butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene

C30H74O2 — CID 159516214

IUPACbutane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene
SMILESC.C.C.C/C=C/CC.CCC(C)CO.CCC(CC)(CC)CO.CCCC.CCCCC
InChIInChI=1S/C8H18O.C5H12O.C5H12.C5H10.C4H10.3CH4/c1-4-8(5-2,6-3)7-9;1-3-5(2)4-6;2*1-3-5-4-2;1-3-4-2;;;/h9H,4-7H2,1-3H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;3,5H,4H2,1-2H3;3-4H2,1-2H3;3*1H4/b;;;5-3+;;;;
InChIKeyMBFOKRUFYYJHNN-CWDQIDRWSA-N
MW466.92 g/mol
LogP11.10
Rot. Bonds10

About butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene

butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene (PubChem CID 159516214) has the molecular formula C30H74O2 and a molecular weight of 466.92 g/mol. Its IUPAC name is butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene.

Molecular Properties

Compound Namebutane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene
PubChem CID159516214
Molecular FormulaC30H74O2
Molecular Weight466.92 g/mol
Exact Mass466.57
IUPAC Namebutane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene
SMILESC.C.C.C/C=C/CC.CCC(C)CO.CCC(CC)(CC)CO.CCCC.CCCCC
InChIInChI=1S/C8H18O.C5H12O.C5H12.C5H10.C4H10.3CH4/c1-4-8(5-2,6-3)7-9;1-3-5(2)4-6;2*1-3-5-4-2;1-3-4-2;;;/h9H,4-7H2,1-3H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;3,5H,4H2,1-2H3;3-4H2,1-2H3;3*1H4/b;;;5-3+;;;;
InChIKeyMBFOKRUFYYJHNN-CWDQIDRWSA-N
XLogP11.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.92
LogP ≤ 511.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene with MolForge

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Related Compounds

hexane;(Z)-pent-2-ene;tetrahydrate
CID 176555754
2-methylbutan-1-ol;zirconium
CID 152608404
(Z)-but-2-ene;3-methylheptane
CID 155572467
2-methylhexan-1-ol
CID 159157237
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
ethane;methane;2-methylpentane;pentan-2-ol;pent-2-ene;propane
CID 158815784
2-methyldec-8-en-1-ol
CID 151918594
butane;2,2-dimethylbutane;hexane;methane;2-methylbutane;2-methylpentane;pentane
CID 160670353
butane;3,3-diethyloctane;bis(3,3-diethylpentane);2,3-dimethylbutane;heptane;bis(hexane);methane;3-methylhexane;3-methylpentane;octane
CID 161459220
3,3-diethylpentane;3-methylhexane;3-methylpentane
CID 160955988
hex-2-ene;3-methylpentane
CID 161117572

Frequently Asked Questions

What is the IUPAC name of butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene?
The IUPAC name of butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene (CID 159516214) is butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene.
What is the SMILES notation for butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene?
The canonical SMILES for butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene is C.C.C.C/C=C/CC.CCC(C)CO.CCC(CC)(CC)CO.CCCC.CCCCC.
What is the InChIKey of butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene?
The InChIKey is MBFOKRUFYYJHNN-CWDQIDRWSA-N. The full InChI is InChI=1S/C8H18O.C5H12O.C5H12.C5H10.C4H10.3CH4/c1-4-8(5-2,6-3)7-9;1-3-5(2)4-6;2*1-3-5-4-2;1-3-4-2;;;/h9H,4-7H2,1-3H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;3,5H,4H2,1-2H3;3-4H2,1-2H3;3*1H4/b;;;5-3+;;;;.
What are the key properties of butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene?
butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene has a molecular weight of 466.92 g/mol, XLogP of 11.10, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,2-diethylbutan-1-ol;methane;2-methylbutan-1-ol;pentane;(E)-pent-2-ene is sourced from PubChem (CID 159516214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).