benzene;bis(2-methylpent-1-en-3-one)

C18H26O2 — CID 160638485

IUPACbenzene;bis(2-methylpent-1-en-3-one)
SMILESC=C(C)C(=O)CC.C=C(C)C(=O)CC.c1ccccc1
InChIInChI=1S/2C6H10O.C6H6/c2*1-4-6(7)5(2)3;1-2-4-6-5-3-1/h2*2,4H2,1,3H3;1-6H
InChIKeyRIVXUISFDGNGAW-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.77
Rot. Bonds4

About benzene;bis(2-methylpent-1-en-3-one)

benzene;bis(2-methylpent-1-en-3-one) (PubChem CID 160638485) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is benzene;bis(2-methylpent-1-en-3-one).

Molecular Properties

Compound Namebenzene;bis(2-methylpent-1-en-3-one)
PubChem CID160638485
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Namebenzene;bis(2-methylpent-1-en-3-one)
SMILESC=C(C)C(=O)CC.C=C(C)C(=O)CC.c1ccccc1
InChIInChI=1S/2C6H10O.C6H6/c2*1-4-6(7)5(2)3;1-2-4-6-5-3-1/h2*2,4H2,1,3H3;1-6H
InChIKeyRIVXUISFDGNGAW-UHFFFAOYSA-N
XLogP4.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(2-methylpent-1-en-3-one);pyridine
CID 159594079
heptane;2-methylpent-1-en-3-one
CID 142189704
methyl 2-methylprop-2-enoate;2-methylpent-1-en-3-one
CID 158562898
propanoic acid;prop-1-en-2-olate
CID 172732515
butan-2-one;2-methylprop-2-enoic acid
CID 18674562
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919
(3-methyl-2-oxobut-3-enyl)carbamic acid
CID 22435573
2-methyloct-1-en-3-one
CID 12585814
CID 173413432
CID 173413432
2-methylnonadec-1-en-3-one
CID 150628128
2-methyltridec-1-en-3-one
CID 91110358
2-methylidenebutanoate;2-methylprop-2-enoic acid
CID 22645756

Frequently Asked Questions

What is the IUPAC name of benzene;bis(2-methylpent-1-en-3-one)?
The IUPAC name of benzene;bis(2-methylpent-1-en-3-one) (CID 160638485) is benzene;bis(2-methylpent-1-en-3-one).
What is the SMILES notation for benzene;bis(2-methylpent-1-en-3-one)?
The canonical SMILES for benzene;bis(2-methylpent-1-en-3-one) is C=C(C)C(=O)CC.C=C(C)C(=O)CC.c1ccccc1.
What is the InChIKey of benzene;bis(2-methylpent-1-en-3-one)?
The InChIKey is RIVXUISFDGNGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O.C6H6/c2*1-4-6(7)5(2)3;1-2-4-6-5-3-1/h2*2,4H2,1,3H3;1-6H.
What are the key properties of benzene;bis(2-methylpent-1-en-3-one)?
benzene;bis(2-methylpent-1-en-3-one) has a molecular weight of 274.40 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(2-methylpent-1-en-3-one) is sourced from PubChem (CID 160638485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).