CID 155932042

C8H13BO2 — CID 155932042

IUPAC—
SMILES[B]CC(=C)CCCC(=O)OC
InChIInChI=1S/C8H13BO2/c1-7(6-9)4-3-5-8(10)11-2/h1,3-6H2,2H3
InChIKeyHMPGDPCVBONVHD-UHFFFAOYSA-N
MW152.00 g/mol
LogP1.47
Rot. Bonds5

About CID 155932042

CID 155932042 (PubChem CID 155932042) has the molecular formula C8H13BO2 and a molecular weight of 152.00 g/mol.

Molecular Properties

Compound NameCID 155932042
PubChem CID155932042
Molecular FormulaC8H13BO2
Molecular Weight152.00 g/mol
Exact Mass152.10
IUPAC Name—
SMILES[B]CC(=C)CCCC(=O)OC
InChIInChI=1S/C8H13BO2/c1-7(6-9)4-3-5-8(10)11-2/h1,3-6H2,2H3
InChIKeyHMPGDPCVBONVHD-UHFFFAOYSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.00
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 5-methylidenenonanedioate
CID 121012075
dimethyl 4-methylidenedecanedioate
CID 10490360
dimethyl pentanedioate;hydrochloride
CID 175168861
methyl 6-methylhept-6-enoate
CID 12590016
methyl 10-methylidenehexadecanoate
CID 87398703
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 6-methoxy-3-methylidenehexanoate
CID 117268184
dimethyl hexanedioate;molecular hydrogen
CID 173272620

Frequently Asked Questions

What is the IUPAC name of CID 155932042?
The IUPAC name of CID 155932042 (CID 155932042) is not available.
What is the SMILES notation for CID 155932042?
The canonical SMILES for CID 155932042 is [B]CC(=C)CCCC(=O)OC.
What is the InChIKey of CID 155932042?
The InChIKey is HMPGDPCVBONVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BO2/c1-7(6-9)4-3-5-8(10)11-2/h1,3-6H2,2H3.
What are the key properties of CID 155932042?
CID 155932042 has a molecular weight of 152.00 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155932042 is sourced from PubChem (CID 155932042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).