ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene)

C24H53NO — CID 142275746

IUPACethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene)
SMILESC=CC.C=CC.C=CC/C=C\C.CC.CC.CCCCC.CCNC=O
InChIInChI=1S/C6H10.C5H12.C3H7NO.2C3H6.2C2H6/c1-3-5-6-4-2;1-3-5-4-2;1-2-4-3-5;2*1-3-2;2*1-2/h3-4,6H,1,5H2,2H3;3-5H2,1-2H3;3H,2H2,1H3,(H,4,5);2*3H,1H2,2H3;2*1-2H3/b6-4-;;;;;;
InChIKeyZJNZLZYVRRSFEP-LNYMVSAVSA-N
MW371.69 g/mol
LogP8.52
Rot. Bonds6

About ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene)

ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene) (PubChem CID 142275746) has the molecular formula C24H53NO and a molecular weight of 371.69 g/mol. Its IUPAC name is ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene).

Molecular Properties

Compound Nameethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene)
PubChem CID142275746
Molecular FormulaC24H53NO
Molecular Weight371.69 g/mol
Exact Mass371.41
IUPAC Nameethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene)
SMILESC=CC.C=CC.C=CC/C=C\C.CC.CC.CCCCC.CCNC=O
InChIInChI=1S/C6H10.C5H12.C3H7NO.2C3H6.2C2H6/c1-3-5-6-4-2;1-3-5-4-2;1-2-4-3-5;2*1-3-2;2*1-2/h3-4,6H,1,5H2,2H3;3-5H2,1-2H3;3H,2H2,1H3,(H,4,5);2*3H,1H2,2H3;2*1-2H3/b6-4-;;;;;;
InChIKeyZJNZLZYVRRSFEP-LNYMVSAVSA-N
XLogP8.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.69
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexa-1,4-diene
CID 163631115
hexa-1,4-diene;hydrate
CID 162019515
2,2-dimethylpropane;ethane;N-ethylformamide
CID 142479182
acetic acid;hexa-1,4-diene
CID 174398643
butane;pentane;prop-1-ene
CID 144903825
ethane;N-pentylformamide
CID 145350301
ethane;formaldehyde;N-methylethanamine;pentane
CID 153349294
ethane;prop-1-ene;undecane
CID 171541850
but-1-ene;ethane;pentane
CID 142205498
dodeca-1,4,10-triene
CID 174048310
acetaldehyde;hexane;bis((E)-hex-2-ene);pentane
CID 160632813
N-tetracosylformamide
CID 54077607

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene)?
The IUPAC name of ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene) (CID 142275746) is ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene).
What is the SMILES notation for ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene)?
The canonical SMILES for ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene) is C=CC.C=CC.C=CC/C=C\C.CC.CC.CCCCC.CCNC=O.
What is the InChIKey of ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene)?
The InChIKey is ZJNZLZYVRRSFEP-LNYMVSAVSA-N. The full InChI is InChI=1S/C6H10.C5H12.C3H7NO.2C3H6.2C2H6/c1-3-5-6-4-2;1-3-5-4-2;1-2-4-3-5;2*1-3-2;2*1-2/h3-4,6H,1,5H2,2H3;3-5H2,1-2H3;3H,2H2,1H3,(H,4,5);2*3H,1H2,2H3;2*1-2H3/b6-4-;;;;;;.
What are the key properties of ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene)?
ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene) has a molecular weight of 371.69 g/mol, XLogP of 8.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylformamide;(4Z)-hexa-1,4-diene;pentane;bis(prop-1-ene) is sourced from PubChem (CID 142275746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).