2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H23BO4 — CID 135393437

IUPAC2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)O[C@@H]2CC=C(B3OC(C)(C)C(C)(C)O3)[C@@H]2O1
InChIInChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)9-7-8-10-11(9)17-14(5,6)16-10/h7,10-11H,8H2,1-6H3/t10-,11+/m1/s1
InChIKeyPHJRIWACSOGBJR-MNOVXSKESA-N
MW266.15 g/mol
LogP2.47
Rot. Bonds1

About 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 135393437) has the molecular formula C14H23BO4 and a molecular weight of 266.15 g/mol. Its IUPAC name is 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID135393437
Molecular FormulaC14H23BO4
Molecular Weight266.15 g/mol
Exact Mass266.17
IUPAC Name2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)O[C@@H]2CC=C(B3OC(C)(C)C(C)(C)O3)[C@@H]2O1
InChIInChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)9-7-8-10-11(9)17-14(5,6)16-10/h7,10-11H,8H2,1-6H3/t10-,11+/m1/s1
InChIKeyPHJRIWACSOGBJR-MNOVXSKESA-N
XLogP2.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

4,4,5,5-tetramethyl-2-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,2-dioxaborolane
CID 90326964
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
CID 166476928
1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
CID 164753541
[(3aS,6R,6aR)-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 135396600
N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-en-1-amine
CID 174069837
2-(6-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59238798
4,4,5,5-tetramethyl-2-[(4S)-4-methylcyclohexen-1-yl]-1,3,2-dioxaborolane
CID 99773842
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
2-(4-deuteriophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138376291
2,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridine
CID 155576911
(6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 143329157
4,4,5,5-tetramethyl-2-[(5S)-4,4,5-trimethylcyclohexen-1-yl]-1,3,2-dioxaborolane
CID 142729657

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 135393437) is 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)O[C@@H]2CC=C(B3OC(C)(C)C(C)(C)O3)[C@@H]2O1.
What is the InChIKey of 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PHJRIWACSOGBJR-MNOVXSKESA-N. The full InChI is InChI=1S/C14H23BO4/c1-12(2)13(3,4)19-15(18-12)9-7-8-10-11(9)17-14(5,6)16-10/h7,10-11H,8H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.15 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 135393437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).