CID 67188423

C16H26BO2 — CID 67188423

IUPAC—
SMILESCC1(C)CC=C(O[B]OC2=CCC(C)(C)CC2)CC1
InChIInChI=1S/C16H26BO2/c1-15(2)9-5-13(6-10-15)18-17-19-14-7-11-16(3,4)12-8-14/h5,7H,6,8-12H2,1-4H3
InChIKeyIKTZVGTWSDRLOR-UHFFFAOYSA-N
MW261.19 g/mol
LogP4.74
Rot. Bonds4

About CID 67188423

CID 67188423 (PubChem CID 67188423) has the molecular formula C16H26BO2 and a molecular weight of 261.19 g/mol.

Molecular Properties

Compound NameCID 67188423
PubChem CID67188423
Molecular FormulaC16H26BO2
Molecular Weight261.19 g/mol
Exact Mass261.20
IUPAC Name—
SMILESCC1(C)CC=C(O[B]OC2=CCC(C)(C)CC2)CC1
InChIInChI=1S/C16H26BO2/c1-15(2)9-5-13(6-10-15)18-17-19-14-7-11-16(3,4)12-8-14/h5,7H,6,8-12H2,1-4H3
InChIKeyIKTZVGTWSDRLOR-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane
CID 16688523
Borinic acid, diethyl-, 3,3,5-trimethyl-1-cyclohexen-1-yl ester
CID 606281
2-(4,4-Diethylcyclohexen-1-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57742127
CID 67165643
CID 67165643
CID 67166180
CID 67166180
CID 67212085
CID 67212085
(4,4-Dimethylcyclohexen-1-yl)oxyboronic acid
CID 142697412
(4-Tert-butylcyclohexen-1-yl)oxyboronic acid
CID 152327629
Dibutyl-(4-tert-butylcyclohexen-1-yl)oxyborane
CID 15758319
1-(4,4-Diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene
CID 157395654
1-(4,4-Dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene
CID 160614322

Frequently Asked Questions

What is the IUPAC name of CID 67188423?
The IUPAC name of CID 67188423 (CID 67188423) is not available.
What is the SMILES notation for CID 67188423?
The canonical SMILES for CID 67188423 is CC1(C)CC=C(O[B]OC2=CCC(C)(C)CC2)CC1.
What is the InChIKey of CID 67188423?
The InChIKey is IKTZVGTWSDRLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BO2/c1-15(2)9-5-13(6-10-15)18-17-19-14-7-11-16(3,4)12-8-14/h5,7H,6,8-12H2,1-4H3.
What are the key properties of CID 67188423?
CID 67188423 has a molecular weight of 261.19 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67188423 is sourced from PubChem (CID 67188423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).