hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene

C11H24O2 — CID 172808064

IUPAChydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
SMILESCCCC=C(C(C)C)C(C)C.OO
InChIInChI=1S/C11H22.H2O2/c1-6-7-8-11(9(2)3)10(4)5;1-2/h8-10H,6-7H2,1-5H3;1-2H
InChIKeyRUBOPRXRHIVBBN-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.04
Rot. Bonds4

About hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene

hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene (PubChem CID 172808064) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene.

Molecular Properties

Compound Namehydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
PubChem CID172808064
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Namehydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
SMILESCCCC=C(C(C)C)C(C)C.OO
InChIInChI=1S/C11H22.H2O2/c1-6-7-8-11(9(2)3)10(4)5;1-2/h8-10H,6-7H2,1-5H3;1-2H
InChIKeyRUBOPRXRHIVBBN-UHFFFAOYSA-N
XLogP4.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

pent-1-ene-1,1-diol
CID 21473005
4-butan-2-yl-2,3-dimethyloct-4-ene
CID 123920720
(E)-2-propan-2-ylhex-2-enedithioic acid
CID 15178424
1-iodopent-1-en-1-ol
CID 154405328
(Z)-1-fluoropent-1-en-1-ol
CID 173232591
3-methylhept-3-en-2-amine
CID 130574470
1-N,1-N'-di(propan-2-yl)pent-1-ene-1,1-diamine
CID 139931013
(E)-3-methylhept-3-en-2-amine
CID 163910373
1-ethyl-1-[(Z)-2-methylhept-3-en-3-yl]hydrazine
CID 170227673
2-propan-2-yloxyhex-2-ene
CID 123193761
(3Z)-hepta-1,3-dien-3-ol
CID 102117961
(E,3R)-2-methyl-4-propyloct-4-en-3-ol
CID 11019550

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene?
The IUPAC name of hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene (CID 172808064) is hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene.
What is the SMILES notation for hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene?
The canonical SMILES for hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene is CCCC=C(C(C)C)C(C)C.OO.
What is the InChIKey of hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene?
The InChIKey is RUBOPRXRHIVBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.H2O2/c1-6-7-8-11(9(2)3)10(4)5;1-2/h8-10H,6-7H2,1-5H3;1-2H.
What are the key properties of hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene?
hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene has a molecular weight of 188.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene is sourced from PubChem (CID 172808064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).