butane;3-methylhexa-1,2-diene

C11H22 — CID 145158115

IUPACbutane;3-methylhexa-1,2-diene
SMILESC=C=C(C)CCC.CCCC
InChIInChI=1S/C7H12.C4H10/c1-4-6-7(3)5-2;1-3-4-2/h2,4,6H2,1,3H3;3-4H2,1-2H3
InChIKeyQNMZXUJTBIPVTA-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.32
Rot. Bonds3

About butane;3-methylhexa-1,2-diene

butane;3-methylhexa-1,2-diene (PubChem CID 145158115) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is butane;3-methylhexa-1,2-diene.

Molecular Properties

Compound Namebutane;3-methylhexa-1,2-diene
PubChem CID145158115
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Namebutane;3-methylhexa-1,2-diene
SMILESC=C=C(C)CCC.CCCC
InChIInChI=1S/C7H12.C4H10/c1-4-6-7(3)5-2;1-3-4-2/h2,4,6H2,1,3H3;3-4H2,1-2H3
InChIKeyQNMZXUJTBIPVTA-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylbuta-2,3-dien-1-ol
CID 12502940
2-methylpent-1-ene-1-thione
CID 19937256
3,7-dimethylnona-1,2-diene
CID 123384763
ethenylidene(pentan-2-ylidene)azanium
CID 123775306
2-ethenylidenehexan-1-ol
CID 14968812
(E)-4,5-dimethyloct-4-ene
CID 12714364
butane;ethane;2-methylprop-1-ene
CID 142168819
methane;hexakis(2-methylpent-1-ene)
CID 175346690
fluoroethane;3-methylbuta-1,2-diene
CID 143722079
1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane
CID 142096766
sodium;hydride;2-methylpent-1-ene
CID 174251970
butane;2-methylbut-1-en-3-yne
CID 145419919

Frequently Asked Questions

What is the IUPAC name of butane;3-methylhexa-1,2-diene?
The IUPAC name of butane;3-methylhexa-1,2-diene (CID 145158115) is butane;3-methylhexa-1,2-diene.
What is the SMILES notation for butane;3-methylhexa-1,2-diene?
The canonical SMILES for butane;3-methylhexa-1,2-diene is C=C=C(C)CCC.CCCC.
What is the InChIKey of butane;3-methylhexa-1,2-diene?
The InChIKey is QNMZXUJTBIPVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C4H10/c1-4-6-7(3)5-2;1-3-4-2/h2,4,6H2,1,3H3;3-4H2,1-2H3.
What are the key properties of butane;3-methylhexa-1,2-diene?
butane;3-methylhexa-1,2-diene has a molecular weight of 154.30 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-methylhexa-1,2-diene is sourced from PubChem (CID 145158115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).