2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H23BO3 — CID 159957998

IUPAC2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C/C(OC)=c1/c(B2OC(C)(C)C(C)(C)O2)cccc1=C
InChIInChI=1S/C17H23BO3/c1-8-14(19-7)15-12(2)10-9-11-13(15)18-20-16(3,4)17(5,6)21-18/h8-11H,1-2H2,3-7H3/b15-14-
InChIKeySRXNFTZDRIWZQU-PFONDFGASA-N
MW286.18 g/mol
LogP1.34
Rot. Bonds3

About 2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159957998) has the molecular formula C17H23BO3 and a molecular weight of 286.18 g/mol. Its IUPAC name is 2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID159957998
Molecular FormulaC17H23BO3
Molecular Weight286.18 g/mol
Exact Mass286.17
IUPAC Name2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C/C(OC)=c1/c(B2OC(C)(C)C(C)(C)O2)cccc1=C
InChIInChI=1S/C17H23BO3/c1-8-14(19-7)15-12(2)10-9-11-13(15)18-20-16(3,4)17(5,6)21-18/h8-11H,1-2H2,3-7H3/b15-14-
InChIKeySRXNFTZDRIWZQU-PFONDFGASA-N
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 67086691
N-[2-ethenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
CID 123292561
2-[(Z)-hydroxyiminomethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 136785589
2-(2-bromo-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 91800309
methyl 2-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 71039272
2-[3-[(E)-2-methoxyethenyl]-2-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58494094
4,4,5,5-tetramethyl-2-[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 140933550
(3Z)-3,4-dimethyl-2-nitrohexa-1,3,5-triene;7-ethenyl-5-methyl-3,9-dimethylidene-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(12),4,7,10-tetraene;1-ethenyl-3-methyl-8-methylidene-4-(1-nitroethenyl)isochromene;methane;[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]boronic acid;2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(6Z)-6-(1-methoxyprop-2-enylidene)-5-methylidene-1-[(3Z)-2-methyl-4-nitropenta-1,3-dien-3-yl]cyclohexa-1,3-diene;(6E)-6-(1-methoxyprop-2-enylidene)-1-methyl-5-methylidenecyclohexa-1,3-diene;(1Z)-1-[6-methylidene-2-(4-methyl-2-nitropenta-1,3-dien-3-yl)cyclohexa-2,4-dien-1-ylidene]prop-2-en-1-ol
CID 159957991
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol
CID 157328248
methyl 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxylate
CID 58553362
prop-1-ene;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
CID 160688261
2-(3-amino-2-methoxyphenyl)-4,5,5-trimethyl-1,3,2-dioxaborolan-4-ol
CID 174199606

Frequently Asked Questions

What is the IUPAC name of 2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159957998) is 2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C/C(OC)=c1/c(B2OC(C)(C)C(C)(C)O2)cccc1=C.
What is the InChIKey of 2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SRXNFTZDRIWZQU-PFONDFGASA-N. The full InChI is InChI=1S/C17H23BO3/c1-8-14(19-7)15-12(2)10-9-11-13(15)18-20-16(3,4)17(5,6)21-18/h8-11H,1-2H2,3-7H3/b15-14-.
What are the key properties of 2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 286.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6E)-6-(1-methoxyprop-2-enylidene)-5-methylidenecyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159957998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).