(4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane

C20H29BO4 — CID 15196692

IUPAC(4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane
SMILESCOC1([C@H]2OB(c3ccccc3)O[C@@H]2C2(OC)CCCC2)CCCC1
InChIInChI=1S/C20H29BO4/c1-22-19(12-6-7-13-19)17-18(20(23-2)14-8-9-15-20)25-21(24-17)16-10-4-3-5-11-16/h3-5,10-11,17-18H,6-9,12-15H2,1-2H3/t17-,18-/m0/s1
InChIKeyIUEKSBDMZLUGPC-ROUUACIJSA-N
MW344.26 g/mol
LogP3.08
Rot. Bonds5

About (4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane

(4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane (PubChem CID 15196692) has the molecular formula C20H29BO4 and a molecular weight of 344.26 g/mol. Its IUPAC name is (4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name(4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane
PubChem CID15196692
Molecular FormulaC20H29BO4
Molecular Weight344.26 g/mol
Exact Mass344.22
IUPAC Name(4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane
SMILESCOC1([C@H]2OB(c3ccccc3)O[C@@H]2C2(OC)CCCC2)CCCC1
InChIInChI=1S/C20H29BO4/c1-22-19(12-6-7-13-19)17-18(20(23-2)14-8-9-15-20)25-21(24-17)16-10-4-3-5-11-16/h3-5,10-11,17-18H,6-9,12-15H2,1-2H3/t17-,18-/m0/s1
InChIKeyIUEKSBDMZLUGPC-ROUUACIJSA-N
XLogP3.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[(4R,5R)-4,5-bis(1-methoxycyclopentyl)-1,3,2-dioxaborolan-2-yl]-1-phenylpropan-1-imine
CID 10553044
(3aR,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaborole
CID 124629415
diethyl 2-phenyl-1,3,2-dioxaborolane-4,5-dicarboxylate
CID 134849407
(1S,2S,6S,8S)-4,10-diphenyl-3,5,9,11-tetraoxa-4,10-diboratricyclo[6.3.0.02,6]undecane
CID 10542649
N,N-diphenyl-4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]aniline
CID 154586874
(4S,5S)-2-phenyl-1,3,2-dioxaborolane-4,5-dicarbaldehyde
CID 87430373
(4R,4aS,8aS)-2,6-diphenyl-4-[(4S)-2-phenyl-1,3,2-dioxaborolan-4-yl]-4,4a,8,8a-tetrahydro-[1,3,2]dioxaborinino[5,4-d][1,3,2]dioxaborinine
CID 16678015
(4S,5S)-2-phenyl-4,5-bis[(4R)-2-phenyl-1,3,2-dioxaborolan-4-yl]-1,3,2-dioxaborolane
CID 124930928
3-phenyl-2,4-dioxa-3-borabicyclo[3.3.1]nonan-7-one
CID 123171099
1-cyclopropyl-1-methoxycyclopentane
CID 59169338
[5-(acetyloxymethyl)-2-phenyl-1,3,2-dioxaborolan-4-yl]methyl acetate
CID 539935
N-cyclohexyl-N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 143516798

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane?
The IUPAC name of (4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane (CID 15196692) is (4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane.
What is the SMILES notation for (4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane?
The canonical SMILES for (4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane is COC1([C@H]2OB(c3ccccc3)O[C@@H]2C2(OC)CCCC2)CCCC1.
What is the InChIKey of (4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane?
The InChIKey is IUEKSBDMZLUGPC-ROUUACIJSA-N. The full InChI is InChI=1S/C20H29BO4/c1-22-19(12-6-7-13-19)17-18(20(23-2)14-8-9-15-20)25-21(24-17)16-10-4-3-5-11-16/h3-5,10-11,17-18H,6-9,12-15H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane?
(4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane has a molecular weight of 344.26 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-bis(1-methoxycyclopentyl)-2-phenyl-1,3,2-dioxaborolane is sourced from PubChem (CID 15196692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).