bis(buta-1,3-diene);5-methylhex-1-ene

C15H26 — CID 174724270

IUPACbis(buta-1,3-diene);5-methylhex-1-ene
SMILESC=CC=C.C=CC=C.C=CCCC(C)C
InChIInChI=1S/C7H14.2C4H6/c1-4-5-6-7(2)3;2*1-3-4-2/h4,7H,1,5-6H2,2-3H3;2*3-4H,1-2H2
InChIKeyAKUGDGPRHDLMQI-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.33
Rot. Bonds5

About bis(buta-1,3-diene);5-methylhex-1-ene

bis(buta-1,3-diene);5-methylhex-1-ene (PubChem CID 174724270) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is bis(buta-1,3-diene);5-methylhex-1-ene.

Molecular Properties

Compound Namebis(buta-1,3-diene);5-methylhex-1-ene
PubChem CID174724270
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Namebis(buta-1,3-diene);5-methylhex-1-ene
SMILESC=CC=C.C=CC=C.C=CCCC(C)C
InChIInChI=1S/C7H14.2C4H6/c1-4-5-6-7(2)3;2*1-3-4-2/h4,7H,1,5-6H2,2-3H3;2*3-4H,1-2H2
InChIKeyAKUGDGPRHDLMQI-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
hex-5-ene-2-thiol
CID 12575095
(3S)-3-methylhepta-1,6-diene
CID 145257056
5,6,8-trimethylnon-1-ene
CID 123478459
9-methyldec-1-en-5-yne
CID 123574839
N-(2-methylpropoxy)hex-5-en-2-amine
CID 104655833
(5S)-6-iodo-5-methylhex-1-ene
CID 14470371
(2R,3S)-hept-6-ene-2,3-diol
CID 102384670
(4R)-4-propan-2-ylocta-1,7-diene
CID 59911119
ethane;4-methylocta-1,7-diene
CID 144616064
N,N,2-trimethyloct-7-en-4-amine
CID 144657583

Frequently Asked Questions

What is the IUPAC name of bis(buta-1,3-diene);5-methylhex-1-ene?
The IUPAC name of bis(buta-1,3-diene);5-methylhex-1-ene (CID 174724270) is bis(buta-1,3-diene);5-methylhex-1-ene.
What is the SMILES notation for bis(buta-1,3-diene);5-methylhex-1-ene?
The canonical SMILES for bis(buta-1,3-diene);5-methylhex-1-ene is C=CC=C.C=CC=C.C=CCCC(C)C.
What is the InChIKey of bis(buta-1,3-diene);5-methylhex-1-ene?
The InChIKey is AKUGDGPRHDLMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.2C4H6/c1-4-5-6-7(2)3;2*1-3-4-2/h4,7H,1,5-6H2,2-3H3;2*3-4H,1-2H2.
What are the key properties of bis(buta-1,3-diene);5-methylhex-1-ene?
bis(buta-1,3-diene);5-methylhex-1-ene has a molecular weight of 206.37 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(buta-1,3-diene);5-methylhex-1-ene is sourced from PubChem (CID 174724270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).